Chem
J-GLOBAL ID：200907082934407985
Nikkaji number：J1.036.807C
5-[(E)-2-Bromovinyl]-3-benzoyl-2-[[(3S)-4α-(benzyloxy)-5β-[(tert-butyldiphenylsiloxy)methyl]tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one
5-[(E)-2-ブロモビニル]-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 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
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
Molecular formula： C41H41BrN2O5SSi
Molecular formula furigana： C41-H41-BR-N2-O5-S-SI
Molecular weight： 781.840
InChI：
InChI=1S/C41H41BrN2O5SSi/c1-41(2,3)51(33-20-12-6-13-21-33,34-22-14-7-15-23-34)48-28-36-37(47-27-30-16-8-4-9-17-30)35(29-50-36)49-40-43-26-32(24-25-42)39(46)44(40)38(45)31-18-10-5-11-19-31/h4-26,35-37H,27-29H2,1-3H3/b25-24+/t35-,36-,37+/m1/s1
InChI key：
XGKCOBQDTYONDY-MCTLBTIZSA-N
SMILES：
CC(C)(C)[Si](OC[C@H]1SC[C@@H](Oc2ncc(/C=C/Br)c(=O)n2C(=O)c2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
Systematic name (3)：
- 5-[(E)-2-ブロモビニル]-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-[(1E)-2-ブロモエテニル]-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-[(1E)-2-bromoethenyl]-3,4-dihydropyrimidin-4-one
- 5-[(E)-2-Bromovinyl]-3-benzoyl-2-[[(3S)-4α-(benzyloxy)-5β-[(tert-butyldiphenylsiloxy)methyl]tetrahydrothiophene-3β-yl]oxy]pyrimidine-4(3H)-one
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