Chem
J-GLOBAL ID：200907005494959374
Nikkaji number：J1.909.276C
(3S,3aS,6aR)-3-(2-Ethoxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl)-5-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazole-4,6-dione
(3S,3aS,6aR)-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 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
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
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+/m0/s1
InChI key：
ZOPPQBZURMEARL-BHYGNILZSA-N
SMILES：
CCOc1nc2ccccn2c(=O)c1[C@H]1NO[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1
Systematic name (3)：
- (3S,3aS,6aR)-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
- (3S,3aS,6aR)-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
- (3S,3aS,6aR)-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
- (3S,3aS,6aR)-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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