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1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione 
1,1,2,2-tetrachlorethane-d2 
1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 
1,3,7,9-tetramethyluric acid  
1,3,7-trimethyl-5-hydroxyisouric acid 
1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione 
1,3,7-trimethylisoguanine 
1,3,7-trimethyluric acid  
1,3,9-Trimethyluric acid 
1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione 
1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione 
1,3-dimethyl-7-(phenylmethyl)-8-[2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione 
1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione 
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one 
1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylpropyl)purine-2,6-dione 
1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione 
1,3-dimethyluric acid 
1,7-dimethyluric acid  
1,9-Dimethyluric acid 
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 
1-(3-Carboxypropyl)-3,7-dimethylxanthine 
1-(methyl-d3)-2-pyridoxone-5-carboxamide 
1-methyl nicotinamide-d3 
1-methyl-3-propyl-7H-xanthine 
1-methyl-4-pyridone-5-carboxamide-d2 
1-methyluric acid  
2',3'-secoguanosine 
2,2,2-trideuterio-N-[1,1,2,2-tetradeuterio-2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide 
2,8-dioxoadenine 
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N'-[2-(2-ethoxyphenoxy)-1-oxoethyl]acetohydrazide 
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide 
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide 
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 
2-(\{8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl\}methyl)benzonitrile 
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide 
2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide 
2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester 
2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester 
2-dimethylamino-6-hydroxypurine 
2-furancarboxylic acid [4-[[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]hydrazinylidene]methyl]phenyl] ester 
2-oxobutyric acid-(13)C4,3,3-d2 
3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester 
3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione 
3,7-dimethylisoguanine 
3,7-dimethyluric acid 
3,9-Dimethyluric acid 
3-(trimethylsilyl)-1-propanesulfonic acid-d6 
3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-dipalmitoyl-16,16,16-d3-sn-glycerol 
3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione 
3-isobutyl-1-methylxanthine +   
3-methyl-7-(2-phenylethyl)-8-(propylamino)purine-2,6-dione 
3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione 
3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione 
3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione 
3-Methyluric acid 
4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid 
4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid 
4-[2-[2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethylidene]hydrazinyl]benzoic acid 
4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile 
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester 
5-hydroxyisouric acid +  
5-hydroxyisouric acid anion 
6,8-Dihydroxypurine 
6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone 
6-Thiourate  
7,8-dihydro-8-oxoguanine +   
7,9-Dimethyluric acid 
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione 
7-(2-ethoxyethyl)-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione 
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione 
7-(2-methoxyethyl)-3-methyl-8-(phenylthio)purine-2,6-dione 
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(2-phenylethylamino)purine-2,6-dione 
7-(3-methoxypropyl)-3-(phenylmethyl)-8-(3-thiophenyl)purine-2,6-dione 
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione 
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione 
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione 
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione 
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione 
7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione 
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione 
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione 
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione 
7-\{2-hydroxy-3-[(naphthalen-1-yl)oxy]propyl\}-3-methyl-8-(morpholin-4-yl)-3,7-dihydropurine-2,6-dione 
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione 
7-but-2-enyl-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione 
7-but-2-enyl-3-methyl-8-(phenylmethylthio)purine-2,6-dione 
7-Ethylguanine 
7-hydroxyguanine 
7-Methyluric acid 
7-methylxanthine 
8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione 
8-(2,5-dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione 
8-(3-ethoxypropylamino)-1,3-dimethyl-7H-purine-2,6-dione 
8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione 
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione 
8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione 
8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one 
8-[(2-fluoroanilino)hydrazinylidene]-1,3-dimethylpurine-2,6-dione 
8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione 
8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione 
8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione 
8-anilino-1,3-dimethyl-7H-purine-2,6-dione 
8-Chloroxanthine 
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione 
8-hydroxy-7-methylguanine 
8-Hydroxypurine 
8-Hydroxythioguanine 
8-methylcaffeine 
8-Nitroguanine 
8-oxo-fusatin 
8-oxoadenine 
8-oxoguanine 
8-phenyl-1,3-dipropyl-7H-purine-2,6-dione 
9-Carboxymethoxymethylguanine 
9-Methyluric acid 
9-Methylxanthine 
acetic acid-d4 
acetone d6 
acetonitrile-d3 
acetyl-L-carnitine-d3 
Acremolin C 
acyclovir  
adenosine A1 receptor antagonist +   
adenosine A2A receptor antagonist +   
adenosine A3 receptor antagonist +  
alanine-2,3,3,3-d4 
alanine-d7 
alpha-muricholic acid-d5 
amitriptyline-d3 
bamifylline 
benzene-d6 
beta-D-3-Ribofuranosyluric acid 
butyryl-L-carnitine-d3 
cafaminol 
cafedrine 
caffeine +   
caffeine-(trimethyl-(13)C3) 
Caffeine-D3 
caffeine-d9 
A deuterated isotopologue of caffeine in which the nine hydrogens contained in the 1, 3, and 7 methyl groups are substituted with deuterium.
Caffeinol 
CD 1790 
cholesterol-2,2,3,4,4,6-d6 
cipamfylline 
citric acid-d4 
Creatine D3 
D-valine-d8 
d2-biotin 
d4-trimethyl silyl propionic acid 
ddhGMP 
ddhGTP 
decanoyl-L-carnitine-d3 
deoxycholic acid-2,2,4,4-d4 
deuterated chloroform 
deuterated fatty acid +   
deuterium hydrogen oxide 
diazepam-d8 
dichloromethane-d2 
dideuterium oxide  
dimethazan 
dimethyl ether-d6 
dimethyl sulfoxide-d6 
Dimethyluric acid 
dodecanoyl-L-carnitine-d3 
doxofylline 
DPCPX  
dyphylline +  
enprofylline +  
entecavir (anhydrous) +  
etamiphylline 
ethanol-d6 
etofylline clofibrate 
etofylline nicotinate 
fenetylline 
formic acid-d2 
Furafylline  
ganciclovir +   
gemini-0072 
gemini-0097 
glutamic acid-2,3,3,4,4-d5 
glutaryl-L-carnitine-d6 
glycine-d5 
glycocholic acid-d4 
glycodeoxycholic acid-2,2,4,4-d4 
guanine +   
harmine-d3 
hexadecenoyl-L-carnitine-d3 
hypoxanthine +   
hypoxanthine 3-N-oxide +  
Isobutylxanthine 
isoguanine 
istradefylline  
L-alanine-2,3,3,3-d4 
L-Alanine-d3 
L-arginine-d7 
L-aspartic acid-d7 
L-carnitine-d9 
L-citrulline-d2 
L-glutamic acid-d5 
L-leucine-d10 
L-leucine-d3 
L-methionine-d3 
L-ornithine-d6 
L-phenylalanine-d5 
L-proline-d7 
L-tyrosine-d4 
L-valine-d8 
leucine-d10 
lithocholic acid-2,2,4,4-d4 
LSD-d3 
LSM-1748 
lysine-4,4,5,5-d4 
methanol-d1 
methanol-d4 
methylguanine +   
methylhypoxanthine +  
Migrenin (TN) 
N,N-dimethylformamide-d7 
N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide 
nicotinic-d4 acid 
nitrobenzene-d5 
nitromethane-d3 
O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE 
octanoyl-L-carnitine-d3 
oxolane-d8 
pentifylline 
Pentoxifylline  
Phenobarbital-d5 
phentetramine 
phenylalanine-d5 
pimefylline 
Propentofylline 
propionyl-L-carnitine-d3 
protheobromine 
Proxyphylline 
pyridine-d5 
Pyrimido[1,2-a]purin-10(1H)-one 
reproterol  
Rolofylline 
succinic acid-d4 
taurochenodeoxycholic acid-2,2,4,4-d4 
taurodeoxycholic acid-d4 
tetradecanoyl-L-carnitine-d3 
Tetrahydroindol 5 
tetramethylsilane-d12 
theobromine  
Theobromine-d6 
theodrenaline 
theophylline +   
Theophylline sodium acetate 
Thiouric acid 
Thioxanthine monophosphate 
toluene-d8 
Tonapofylline 
trifluoroacetic acid-d1 
tryptophan-2,3,3-d3 
urate(2-) +  
uric acid +   
valeryl-L-carnitine-d9 
Vephylline 
xanthine +   

Synonyms
Exact Synonyms: 1,3,7-tris[((2)H3)methyl]-3,7-dihydro-1H-purine-2,6-dione
Related Synonyms: 1,3,7-tris(trideuteriomethyl)purine-2,6-dione ;   Formula=C17H28N4O2 ;   InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3 ;   InChIKey=RYYVLZVUVIJVGH-GQALSZNTSA-N ;   SMILES=CC(C)(C)N1C=NC2=C1C(=O)N(C(=O)N2C(C)(C)C)C(C)(C)C ;   caffeine-(trimethyl-d9)
Xrefs: CAS:72238-85-8 ;   Chemspider:23935581 ;   PMID:32428751 ;   PMID:33276087 ;   PMID:34974129 ;   PMID:35690181

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