Chem
J-GLOBAL ID：200907067313339510   Nikkaji number：J1.606.091G

(3R,3aR,6aS)-3-[2-(1-Pyrrolidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-5-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazole-4,6-dione

(3R,3aR,6aS)-3-[2-(1-ピロリジニル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-5-フェニルヘキサヒドロ-2H-ピロロ[3,4-d]イソオキサゾール-4,6-ジオン
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： C23H21N5O4
Molecular formula furigana： C23-H21-N5-O4
Molecular weight： 431.452
InChI： InChI=1S/C23H21N5O4/c29-21-17(20(26-11-6-7-12-26)24-15-10-4-5-13-27(15)21)18-16-19(32-25-18)23(31)28(22(16)30)14-8-2-1-3-9-14/h1-5,8-10,13,16,18-19,25H,6-7,11-12H2/t16-,18-,19+/m1/s1
InChI key： PTPAVYWQKMIJSW-QRQLOZEOSA-N
SMILES： O=C1[C@H]2ON[C@H]([C@H]2C(=O)N1c1ccccc1)c1c(nc2ccccn2c1=O)N1CCCC1
Systematic name  (4)：
  • (3R,3aα,6aα)-ヘキサヒドロ-3β-[2-(ピロリジン-1-イル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-5-フェニル-2H-ピロロ[3,4-d]イソオキサゾール-4,6-ジオン
  • (3R,3aR,6aS)-3-[2-(1-ピロリジニル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]-5-フェニルヘキサヒドロ-2H-ピロロ[3,4-d]イソオキサゾール-4,6-ジオン
  • (3R,3aR,6aS)-3-[4-オキソ-2-(ピロリジン-1-イル)-4H-ピリド[1,2-a]ピリミジン-3-イル]-5-フェニル-ヘキサヒドロ-2H-ピロロ[3,4-d][1,2]オキサゾール-4,6-ジオン
  • (3R,3aR,6aS)-3-[4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Other name (2)：
  • (3R,3aα,6aα)-Hexahydro-3β-[2-(pyrrolidine-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-5-phenyl-2H-pyrrolo[3,4-d]isoxazole-4,6-dione
  • (3R,3aR,6aS)-3-[2-(1-Pyrrolidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-5-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazole-4,6-dione
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