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CHEBI:95318 - 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione

ChEBI IDCHEBI:95318
ChEBI Name7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione
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FormulaC20H19BrN6O2
Net Charge0
Average Mass455.316
Monoisotopic Mass454.07529
SMILESCn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(Br)c2)n(C)c1=O
InChIInChI=1S/C20H19BrN6O2/c1-25-17-16(18(28)26(2)20(25)29)27(12-13-5-3-7-15(21)9-13)19(24-17)23-11-14-6-4-8-22-10-14/h3-10H,11-12H2,1-2H3,(H,23,24)
InChIKeyVKXNTUJPHDQKGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione (CHEBI:95318) is a oxopurine (CHEBI:25810)
Manual XrefsDatabases
LSM-6674LINCS