Chem
J-GLOBAL ID：200907068836960193   Nikkaji number：J1.909.323I

(3aS,6aS)-1,5-Diphenyl-3-(2-ethoxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-4,6-dione

(3aS,6aS)-1,5-ジフェニル-3-(2-エトキシ-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル)-1,3a,4,5,6,6a-ヘキサヒドロピロロ[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： C27H21N5O4
Molecular formula furigana： C27-H21-N5-O4
Molecular weight： 479.496
InChI： InChI=1S/C27H21N5O4/c1-2-36-24-21(25(33)30-16-10-9-15-19(30)28-24)22-20-23(32(29-22)18-13-7-4-8-14-18)27(35)31(26(20)34)17-11-5-3-6-12-17/h3-16,20,23H,2H2,1H3/t20-,23+/m1/s1
InChI key： PEKNRZMLOANLIN-OFNKIYASSA-N
SMILES： CCOc1nc2ccccn2c(=O)c1C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • (3aS,6aS)-1,5-ジフェニル-3-(2-エトキシ-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル)-1,3a,4,5,6,6a-ヘキサヒドロピロロ[3,4-c]ピラゾール-4,6-ジオン
  • (3aS,6aS)-3-{2-エトキシ-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-1H,3aH,4H,5H,6H,6aH-ピロロ[3,4-c]ピラゾール-4,6-ジオン
  • (3aS,6aS)-3-{2-ethoxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-1,5-diphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione
Other name (1)：
  • (3aS,6aS)-1,5-Diphenyl-3-(2-ethoxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-4,6-dione
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