Chem
J-GLOBAL ID：200907032321376672   Nikkaji number：J1.606.082H

(3R,3aR,6aS)-3-(2-Ethoxy-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-エトキシ-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： C21H18N4O5
Molecular formula furigana： C21-H18-N4-O5
Molecular weight： 406.398
InChI： InChI=1S/C21H18N4O5/c1-2-29-18-15(19(26)24-11-7-6-10-13(24)22-18)16-14-17(30-23-16)21(28)25(20(14)27)12-8-4-3-5-9-12/h3-11,14,16-17,23H,2H2,1H3/t14-,16-,17+/m1/s1
InChI key： ZOPPQBZURMEARL-OIISXLGYSA-N
SMILES： CCOc1nc2ccccn2c(=O)c1[C@@H]1NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1
Systematic name  (4)：
  • (3R,3aα,6aα)-ヘキサヒドロ-3β-[2-エトキシ-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-エトキシ-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-{2-エトキシ-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][1,2]オキサゾール-4,6-ジオン
  • (3R,3aR,6aS)-3-{2-ethoxy-4-oxo-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-ethoxy-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-Ethoxy-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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