Chem
J-GLOBAL ID：200907003942841247   Nikkaji number：J1.909.274G

(3S,3aS,6aR)-3-[2-(Dibenzylamino)-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-(ジベンジルアミノ)-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： C33H27N5O4
Molecular formula furigana： C33-H27-N5-O4
Molecular weight： 557.610
InChI： InChI=1S/C33H27N5O4/c39-31-27(28-26-29(42-35-28)33(41)38(32(26)40)24-16-8-3-9-17-24)30(34-25-18-10-11-19-37(25)31)36(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h1-19,26,28-29,35H,20-21H2/t26-,28-,29+/m0/s1
InChI key： QSYYOKLWCNZAPQ-PIZZNKLWSA-N
SMILES： O=C1[C@@H]2ON[C@@H]([C@@H]2C(=O)N1c1ccccc1)c1c(nc2ccccn2c1=O)N(Cc1ccccc1)Cc1ccccc1
Systematic name  (3)：
  • (3S,3aS,6aR)-3-[2-(ジベンジルアミノ)-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-(ジベンジルアミノ)-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-(dibenzylamino)-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 (1)：
  • (3S,3aS,6aR)-3-[2-(Dibenzylamino)-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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