Chem
J-GLOBAL ID:200907051266606196   Nikkaji number:J1.002.172C

1-[(3S)-1-[(4-Methylphenyl)sulfonyl]-5β-[(benzoyloxy)methyl]pyrrolidine-3β-yl]-5-ethylpyrimidine-2,4(1H,3H)-dione

1-[(3S)-1-[(4-メチルフェニル)スルホニル]-5β-[(ベンゾイルオキシ)メチル]ピロリジン-3β-イル]-5-エチルピリミジン-2,4(1H,3H)-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: C25H27N3O6S
Molecular formula furigana: C25-H27-N3-O6-S
Molecular weight: 497.570
InChI: InChI=1S/C25H27N3O6S/c1-3-18-14-27(25(31)26-23(18)29)20-13-21(16-34-24(30)19-7-5-4-6-8-19)28(15-20)35(32,33)22-11-9-17(2)10-12-22/h4-12,14,20-21H,3,13,15-16H2,1-2H3,(H,26,29,31)/t20-,21-/m0/s1
InChI key: BLRUKDSVWNDOPL-SFTDATJTSA-N
SMILES: CCc1cn([C@H]2C[C@@H](COC(=O)c3ccccc3)N(C2)S(=O)(=O)c2ccc(C)cc2)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-[(3S)-1-[(4-メチルフェニル)スルホニル]-5β-[(ベンゾイルオキシ)メチル]ピロリジン-3β-イル]-5-エチルピリミジン-2,4(1H,3H)-ジオン
  • [(2S,4S)-4-(5-エチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-1-(4-メチルベンゼンスルホニル)ピロリジン-2-イル]メチル ベンゾアート
  • [(2S,4S)-4-(5-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]methyl benzoate
Other name (1):
  • 1-[(3S)-1-[(4-Methylphenyl)sulfonyl]-5β-[(benzoyloxy)methyl]pyrrolidine-3β-yl]-5-ethylpyrimidine-2,4(1H,3H)-dione
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