4-(9-cyclopentyl-6,7,8,9-tetrahydro-5,7,7-trimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-ylthio)-benzoic acid (HCID 57940523)

基本情報

標準SMILES: CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(Sc3ccc(C(=O)O)cc3)ncc21
InChIKey: IAESHQLORVVSTM-UHFFFAOYSA-N
分子式: C22H26N4O3S
平均分子量: 426.5 g/mol

名称と識別子

優先名称: 4-(9-cyclopentyl-6,7,8,9-tetrahydro-5,7,7-trimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-ylthio)-benzoic acid
IUPAC: 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)sulfanyl]benzoic acid

名称と別名

SCHEMBL2398288IAESHQLORVVSTM-UHFFFAOYSA-N4-(9-cyclopentyl-6,7,8,9-tetrahydro-5,7,7-trimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-ylthio)-benzoic acid