Chem
J-GLOBAL ID：200907051342947879   Nikkaji number：J1.606.075E

(3R,3aR,6aS)-1,5-Diphenyl-3-[2-(1-pyrrolidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]octahydropyrrolo[3,4-c]pyrazole-4,6-dione

(3R,3aR,6aS)-1,5-ジフェニル-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]オクタヒドロピロロ[3,4-c]ピラゾール-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： C29H26N6O3
Molecular formula furigana： C29-H26-N6-O3
Molecular weight： 506.566
InChI： InChI=1S/C29H26N6O3/c36-27-23(26(32-16-9-10-17-32)30-21-15-7-8-18-33(21)27)24-22-25(35(31-24)20-13-5-2-6-14-20)29(38)34(28(22)37)19-11-3-1-4-12-19/h1-8,11-15,18,22,24-25,31H,9-10,16-17H2/t22-,24-,25+/m1/s1
InChI key： ATWUNNGFNHWKRG-GPXOXTDOSA-N
SMILES： O=C1[C@@H]2[C@@H](NN([C@@H]2C(=O)N1c1ccccc1)c1ccccc1)c1c(nc2ccccn2c1=O)N1CCCC1
Systematic name  (4)：
  • (3R,3aα,6aα)-オクタヒドロ-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]-1,5-ジフェニルピロロ[3,4-c]ピラゾール-4,6-ジオン
  • (3R,3aR,6aS)-1,5-ジフェニル-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]オクタヒドロピロロ[3,4-c]ピラゾール-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]-1,5-ジフェニル-オクタヒドロピロロ[3,4-c]ピラゾール-4,6-ジオン
  • (3R,3aR,6aS)-3-[4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-1,5-diphenyl-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
Other name (2)：
  • (3R,3aα,6aα)-Octahydro-3β-[2-(pyrrolidine-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]-1,5-diphenylpyrrolo[3,4-c]pyrazole-4,6-dione
  • (3R,3aR,6aS)-1,5-Diphenyl-3-[2-(1-pyrrolidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]octahydropyrrolo[3,4-c]pyrazole-4,6-dione
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