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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
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Accession:CHEBI:106026 term browser browse the term
Definition:A pyrimidinecarboxylic acid that has formula C16H20N2O2S.
Synonyms:related_synonym: Formula=C16H20N2O2S;   InChI=1S/C16H20N2O2S/c1-10(2)20-15(19)13-11(3)18(4)16(21)17-14(13)12-8-6-5-7-9-12/h5-10,14H,1-4H3,(H,17,21);   InChIKey=RLSOWXJJZQEWFN-UHFFFAOYSA-N;   SMILES=CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC(C)C
 xref: LINCS:LSM-17387


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      chemical role 19442
        donor 18891
          Bronsted acid 18772
            protic solvent 14818
              propan-2-ol 788
                isopropyl ester 773
                  3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbon oxoacid 18613
                                    carboxylic acid 18610
                                      monocarboxylic acid 17966
                                        fatty acid 16685
                                          fatty acid derivative 8930
                                            fatty alcohol 6057
                                              secondary fatty alcohol 788
                                                propan-2-ol 788
                                                  isopropyl ester 773
                                                    3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester 0
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