CHEBI:109304 - 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid

ChEBI IDCHEBI:109304
ChEBI Name4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid
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FormulaC15H15N5O4
Net Charge0
Average Mass329.316
Monoisotopic Mass329.11240
SMILESCn1c(=O)c2nc(CNc3ccc(C(=O)O)cc3)nc2n(C)c1=O
InChIInChI=1S/C15H15N5O4/c1-19-12-11(13(21)20(2)15(19)24)17-10(18-12)7-16-9-5-3-8(4-6-9)14(22)23/h3-6,16H,7H2,1-2H3,(H,17,18)(H,22,23)
InChIKeyADUXQWIKSOSSDH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid (CHEBI:109304) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-20702LINCS