Chem
J-GLOBAL ID：200907081611066120   Nikkaji number：J2.057.785A

(3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1-methyl-5-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester

(3aα,6aα)-3β-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-1-メチル-5-フェニル-4,6-ジオキソオクタヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
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： C25H25N5O5
Molecular formula furigana： C25-H25-N5-O5
Molecular weight： 475.505
InChI： InChI=1S/C25H25N5O5/c1-25(24(34)35-4)18-16(22(32)30(23(18)33)14-10-6-5-7-11-14)19(27-25)17-20(28(2)3)26-15-12-8-9-13-29(15)21(17)31/h5-13,16,18-19,27H,1-4H3/t16-,18-,19+,25-/m0/s1
InChI key： XCMZVIOYPXOATC-AQQIPYHISA-N
SMILES： COC(=O)[C@@]1(C)N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1c(nc2ccccn2c1=O)N(C)C
Systematic name  (4)：
  • (3aα,6aα)-3β-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-1-メチル-5-フェニル-4,6-ジオキソオクタヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
  • (1S,3aα,6aα)-1-メチル-5-フェニル-3β-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-4,6-ジオキソオクタヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
  • メチル (1S,3R,3aS,6aR)-3-[2-(ジメチルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-1-メチル-4,6-ジオキソ-5-フェニル-オクタヒドロピロロ[3,4-c]ピロール-1-カルボキシラート
  • methyl (1S,3R,3aS,6aR)-3-[2-(dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-1-methyl-4,6-dioxo-5-phenyl-octahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Other name (2)：
  • (3aα,6aα)-3β-[2-(Dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1-methyl-5-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
  • (1S,3aα,6aα)-1-Methyl-5-phenyl-3β-[2-(dimethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
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