Chem
J-GLOBAL ID：200907090882931500   Nikkaji number：J902.272D

1-(2-O,3-O,5-O-Tribenzyl-β-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

1-(2-O,3-O,5-O-トリベンジル-β-D-リボフラノシル)-4-チオキソ-3,4-ジヒドロピリミド[4,5-d]ピリミジン-2(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： C32H30N4O5S
Molecular formula furigana： C32-H30-N4-O5-S
Molecular weight： 582.680
InChI： InChI=1S/C32H30N4O5S/c37-32-35-30(42)25-16-33-21-34-29(25)36(32)31-28(40-19-24-14-8-3-9-15-24)27(39-18-23-12-6-2-7-13-23)26(41-31)20-38-17-22-10-4-1-5-11-22/h1-16,21,26-28,31H,17-20H2,(H,35,37,42)/t26-,27-,28-,31-/m1/s1
InChI key： YIKCQMAVDDXYAH-QNCJLPSESA-N
SMILES： O=c1[nH]c(=S)c2cncnc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Systematic name  (3)：
  • 1-(2-O,3-O,5-O-トリベンジル-β-D-リボフラノシル)-4-チオキソ-3,4-ジヒドロピリミド[4,5-d]ピリミジン-2(1H)-オン
  • 1-[(2R,3R,4R,5R)-3,4-ビス(ベンジルオキシ)-5-[(ベンジルオキシ)メチル]オキソラン-2-イル]-4-スルファニリデン-1H,2H,3H,4H-[1,3]ジアジノ[4,5-d]ピリミジン-2-オン
  • 1-[(2R,3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl]-4-sulfanylidene-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
Other name (1)：
  • 1-(2-O,3-O,5-O-Tribenzyl-β-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
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