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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:4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
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Accession:CHEBI:90621 term browser browse the term
Definition:A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.
Synonyms:exact_synonym: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
 related_synonym: Formula=C14H12N4O;   InChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17);   InChIKey=XWMBSXFOZPVNQH-UHFFFAOYSA-N;   SMILES=C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3
 xref: PDBeChem:FMJ;   Reaxys:11404149


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      application 19658
        NMR chemical shift reference compound 17961
          ammonia 17820
            organic amino compound 17820
              aromatic amine 15421
                aminopyrimidine 1928
                  4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      s-block molecular entity 19624
                        hydrogen molecular entity 19611
                          hydrides 19117
                            inorganic hydride 18115
                              pnictogen hydride 18104
                                nitrogen hydride 18011
                                  azane 17821
                                    ammonia 17820
                                      organic amino compound 17820
                                        aromatic amine 15421
                                          aminopyrimidine 1928
                                            4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine 0
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