Chem
J-GLOBAL ID：200907031080628652   Nikkaji number：J1.036.805G

5-Fluoro-3-benzoyl-2-[[(3S)-4α-(benzyloxy)-5β-[(tert-butyldiphenylsiloxy)methyl]tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one

5-フルオロ-3-ベンゾイル-2-[[(3S)-4α-(ベンジルオキシ)-5β-[(tert-ブチルジフェニルシロキシ)メチル]テトラヒドロチオフェン-3β-イル]オキシ]ピリミジン-4(3H)-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： C39H39FN2O5SSi
Molecular formula furigana： C39-H39-F-N2-O5-S-SI
Molecular weight： 694.890
InChI： InChI=1S/C39H39FN2O5SSi/c1-39(2,3)49(30-20-12-6-13-21-30,31-22-14-7-15-23-31)46-26-34-35(45-25-28-16-8-4-9-17-28)33(27-48-34)47-38-41-24-32(40)37(44)42(38)36(43)29-18-10-5-11-19-29/h4-24,33-35H,25-27H2,1-3H3/t33-,34-,35+/m1/s1
InChI key： DKYWWQLDKOUCGH-VATRIRCNSA-N
SMILES： CC(C)(C)[Si](OC[C@H]1SC[C@@H](Oc2ncc(F)c(=O)n2C(=O)c2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 5-フルオロ-3-ベンゾイル-2-[[(3S)-4α-(ベンジルオキシ)-5β-[(tert-ブチルジフェニルシロキシ)メチル]テトラヒドロチオフェン-3β-イル]オキシ]ピリミジン-4(3H)-オン
  • 3-ベンゾイル-2-{[(3S,4S,5R)-4-(ベンジルオキシ)-5-{[(tert-ブチルジフェニルシリル)オキシ]メチル}チオラン-3-イル]オキシ}-5-フルオロ-3,4-ジヒドロピリミジン-4-オン
  • 3-benzoyl-2-{[(3S,4S,5R)-4-(benzyloxy)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}thiolan-3-yl]oxy}-5-fluoro-3,4-dihydropyrimidin-4-one
Other name (1)：
  • 5-Fluoro-3-benzoyl-2-[[(3S)-4α-(benzyloxy)-5β-[(tert-butyldiphenylsiloxy)methyl]tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one
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