Chem
J-GLOBAL ID：200907040053256645   Nikkaji number：J2.452.057I

1,3-Dimethyl-2,4-dioxo-9-benzyl-2,3,4,5,6,9-hexahydro-1H-pyrimido[4,5-b]azepine-5-acetic acid

1,3-ジメチル-2,4-ジオキソ-9-ベンジル-2,3,4,5,6,9-ヘキサヒドロ-1H-ピリミド[4,5-b]アゼピン-5-酢酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H21N3O4
Molecular formula furigana： C19-H21-N3-O4
Molecular weight： 355.394
InChI： InChI=1S/C19H21N3O4/c1-20-17-16(18(25)21(2)19(20)26)14(11-15(23)24)9-6-10-22(17)12-13-7-4-3-5-8-13/h3-8,10,14H,9,11-12H2,1-2H3,(H,23,24)
InChI key： APEJZOQWVCPOAZ-UHFFFAOYSA-N
SMILES： Cn1c2N(Cc3ccccc3)C=CCC(CC(=O)O)c2c(=O)n(C)c1=O
Systematic name  (3)：
  • 1,3-ジメチル-2,4-ジオキソ-9-ベンジル-2,3,4,5,6,9-ヘキサヒドロ-1H-ピリミド[4,5-b]アゼピン-5-酢酸
  • 2-{9-ベンジル-1,3-ジメチル-2,4-ジオキソ-1H,2H,3H,4H,5H,6H,9H-ピリミド[4,5-b]アゼピン-5-イル}酢酸
  • 2-{9-benzyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,6H,9H-pyrimido[4,5-b]azepin-5-yl}acetic acid
Other name (1)：
  • 1,3-Dimethyl-2,4-dioxo-9-benzyl-2,3,4,5,6,9-hexahydro-1H-pyrimido[4,5-b]azepine-5-acetic acid
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