Chem
J-GLOBAL ID：200907006251237636   Nikkaji number：J2.452.059E

2-Cyano-2-(1,3-dimethyl-2,4-dioxo-9-benzyl-2,3,4,5,6,9-hexahydro-1H-pyrimido[4,5-b]azepine-5-yl)acetic acid ethyl ester

2-シアノ-2-(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-イル)酢酸エチル
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： C22H24N4O4
Molecular formula furigana： C22-H24-N4-O4
Molecular weight： 408.458
InChI： InChI=1S/C22H24N4O4/c1-4-30-21(28)17(13-23)16-11-8-12-26(14-15-9-6-5-7-10-15)19-18(16)20(27)25(3)22(29)24(19)2/h5-10,12,16-17H,4,11,14H2,1-3H3
InChI key： PTKLSIHGMMJSFW-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C#N)C1CC=CN(Cc2ccccc2)c2c1c(=O)n(C)c(=O)n2C
Systematic name  (3)：
  • 2-シアノ-2-(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-イル)酢酸エチル
  • エチル 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}-2-シアノアセタート
  • ethyl 2-{9-benzyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,6H,9H-pyrimido[4,5-b]azepin-5-yl}-2-cyanoacetate
Other name (1)：
  • 2-Cyano-2-(1,3-dimethyl-2,4-dioxo-9-benzyl-2,3,4,5,6,9-hexahydro-1H-pyrimido[4,5-b]azepine-5-yl)acetic acid ethyl ester
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