3-Ethoxy-4-[(6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acid

HCID 68685349

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: CCOc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C
InChIKey: QXGLUGQXMKBBAU-UHFFFAOYSA-N
分子式: C20H25N5O4
平均分子量: 399.4 g/mol
単同位体質量: 399.1906543

名称と識別子

優先名称: 3-Ethoxy-4-[(6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acid
IUPAC: 3-ethoxy-4-[(5-methyl-6-oxo-9-propan-2-yl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzoic acid

名称と別名

SCHEMBL3547703QXGLUGQXMKBBAU-UHFFFAOYSA-N3-ethoxy-4-[(6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acid