Chem
J-GLOBAL ID：200907096289131466   Nikkaji number：J1.969.619G

6-(Benzoylamino)-9-[(2R,4S,5S)-4-[(diethoxythiophophinyl)difluoromethyl]-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-9H-purine

6-(ベンゾイルアミノ)-9-[(2R,4S,5S)-4-[(ジエトキシチオホスフィニル)ジフルオロメチル]-5-(ベンジルオキシメチル)テトラヒドロフラン-2-イル]-9H-プリン
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： C29H32F2N5O5PS
Molecular formula furigana： C29-H32-F2-N5-O5-P-S
Molecular weight： 631.640
InChI： InChI=1S/C29H32F2N5O5PS/c1-3-39-42(43,40-4-2)29(30,31)22-15-24(41-23(22)17-38-16-20-11-7-5-8-12-20)36-19-34-25-26(32-18-33-27(25)36)35-28(37)21-13-9-6-10-14-21/h5-14,18-19,22-24H,3-4,15-17H2,1-2H3,(H,32,33,35,37)/t22-,23+,24+/m0/s1
InChI key： NEJCXBXBEDEHGP-RBZQAINGSA-N
SMILES： CCOP(=S)(OCC)C(F)(F)[C@H]1C[C@@H](O[C@@H]1COCc1ccccc1)n1cnc2c(NC(=O)c3ccccc3)ncnc12
Systematic name  (3)：
  • 6-(ベンゾイルアミノ)-9-[(2R,4S,5S)-4-[(ジエトキシチオホスフィニル)ジフルオロメチル]-5-(ベンジルオキシメチル)テトラヒドロフラン-2-イル]-9H-プリン
  • O,O-ジエチル {[(2S,3S,5R)-5-(6-ベンズアミド-9H-プリン-9-イル)-2-[(ベンジルオキシ)メチル]オキソラン-3-イル]ジフルオロメチル}ホスホノチオアート
  • O,O-diethyl {[(2S,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-[(benzyloxy)methyl]oxolan-3-yl]difluoromethyl}phosphonothioate
Other name (1)：
  • 6-(Benzoylamino)-9-[(2R,4S,5S)-4-[(diethoxythiophophinyl)difluoromethyl]-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-9H-purine
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