methyl4-[(9-cyclopentyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoate

HCID 68682079

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)CCC(=O)N3C)c(OC)c1
InChIKey: ORFLMBSLSJPQDE-UHFFFAOYSA-N
分子式: C22H27N5O4
平均分子量: 425.5 g/mol
単同位体質量: 425.20630436

名称と識別子

優先名称: methyl4-[(9-cyclopentyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoate
IUPAC: methyl 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoate

名称と別名

SCHEMBL3539750ORFLMBSLSJPQDE-UHFFFAOYSA-Nmethyl4-[(9-cyclopentyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoate