Chem
J-GLOBAL ID:200907051806253425   Nikkaji number:J828.624H

1-(2-O,3-O,5-O-Tribenzoyl-β-D-ribofuranosyl)-2-thioxo-3-(4-ethoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(4-aminophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

1-(2-O,3-O,5-O-トリベンゾイル-β-D-リボフラノシル)-2-チオキソ-3-(4-エトキシフェニル)-5-(3,4-ジメトキシフェニル)-7-(4-アミノフェニル)-2,3-ジヒドロピリド[2,3-d]ピリミジン-4(1H)-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: C55H46N4O11S
Molecular formula furigana: C55-H46-N4-O11-S
Molecular weight: 971.050
InChI: InChI=1S/C55H46N4O11S/c1-4-66-40-27-25-39(26-28-40)58-50(60)46-41(37-22-29-43(64-2)44(30-37)65-3)31-42(33-20-23-38(56)24-21-33)57-49(46)59(55(58)71)51-48(70-54(63)36-18-12-7-13-19-36)47(69-53(62)35-16-10-6-11-17-35)45(68-51)32-67-52(61)34-14-8-5-9-15-34/h5-31,45,47-48,51H,4,32,56H2,1-3H3/t45-,47-,48-,51-/m1/s1
InChI key: HNZKSBLXIPGTTF-YYLCPFQDSA-N
SMILES: CCOc1ccc(cc1)n1c(=O)c2c(cc(nc2n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=S)c1ccc(N)cc1)c1ccc(OC)c(OC)c1
Systematic name  (3):
  • 1-(2-O,3-O,5-O-トリベンゾイル-β-D-リボフラノシル)-2-チオキソ-3-(4-エトキシフェニル)-5-(3,4-ジメトキシフェニル)-7-(4-アミノフェニル)-2,3-ジヒドロピリド[2,3-d]ピリミジン-4(1H)-オン
  • [(2R,3R,4R,5R)-5-[7-(4-アミノフェニル)-5-(3,4-ジメトキシフェニル)-3-(4-エトキシフェニル)-4-オキソ-2-スルファニリデン-1H,2H,3H,4H-ピリド[2,3-d]ピリミジン-1-イル]-3,4-ビス(ベンゾイルオキシ)オキソラン-2-イル]メチル ベンゾアート
  • [(2R,3R,4R,5R)-5-[7-(4-aminophenyl)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl]-3,4-bis(benzoyloxy)oxolan-2-yl]methyl benzoate
Other name (1):
  • 1-(2-O,3-O,5-O-Tribenzoyl-β-D-ribofuranosyl)-2-thioxo-3-(4-ethoxyphenyl)-5-(3,4-dimethoxyphenyl)-7-(4-aminophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
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