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CHEBI:92781 - 4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7H-purin-8-yl]butanoic acid

ChEBI IDCHEBI:92781
ChEBI Name4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7H-purin-8-yl]butanoic acid
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FormulaC17H18N4O3S
Net Charge0
Average Mass358.423
Monoisotopic Mass358.10996
SMILESCn1c(=O)c2nc(CCCC(=O)O)nc2n(Cc2ccccc2)c1=S
InChIInChI=1S/C17H18N4O3S/c1-20-16(24)14-15(19-12(18-14)8-5-9-13(22)23)21(17(20)25)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,18,19)(H,22,23)
InChIKeyZXRCYWGXGAMHEI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7H-purin-8-yl]butanoic acid (CHEBI:92781) is a organosulfur compound (CHEBI:33261)
4-[1-methyl-6-oxo-3-(phenylmethyl)-2-sulfanylidene-7H-purin-8-yl]butanoic acid (CHEBI:92781) is a purines (CHEBI:26401)
Manual XrefsDatabases
LSM-2982LINCS