Chem
J-GLOBAL ID:200907019805339023   Nikkaji number:J1.909.319K

(3R,3aR,6aS)-1,5-Diphenyl-3-[2-(methylbenzylamino)-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-(メチルベンジルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]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: C33H28N6O3
Molecular formula furigana: C33-H28-N6-O3
Molecular weight: 556.626
InChI: InChI=1S/C33H28N6O3/c1-36(21-22-13-5-2-6-14-22)30-27(31(40)37-20-12-11-19-25(37)34-30)28-26-29(39(35-28)24-17-9-4-10-18-24)33(42)38(32(26)41)23-15-7-3-8-16-23/h2-20,26,28-29,35H,21H2,1H3/t26-,28-,29+/m1/s1
InChI key: XZRNPFATLJPYRB-CMYDWJSCSA-N
SMILES: CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1[C@@H]1NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)c1ccccc1
Systematic name  (3):
  • (3R,3aR,6aS)-1,5-ジフェニル-3-[2-(メチルベンジルアミノ)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]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-{2-[ベンジル(メチル)アミノ]-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-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-{2-[benzyl(methyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-1,5-diphenyl-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
Other name (1):
  • (3R,3aR,6aS)-1,5-Diphenyl-3-[2-(methylbenzylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]octahydropyrrolo[3,4-c]pyrazole-4,6-dione
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