Chem
J-GLOBAL ID：200907043574013144   Nikkaji number：J1.832.347H

Dibenzoic acid 2β-(6-chloro-9H-purine-9-yl)thiolane-3α,4α-diyl ester

二安息香酸2β-(6-クロロ-9H-プリン-9-イル)チオラン-3α,4α-ジイル
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： C23H17ClN4O4S
Molecular formula furigana： C23-H17-CL-N4-O4-S
Molecular weight： 480.920
InChI： InChI=1S/C23H17ClN4O4S/c24-19-17-20(26-12-25-19)28(13-27-17)21-18(32-23(30)15-9-5-2-6-10-15)16(11-33-21)31-22(29)14-7-3-1-4-8-14/h1-10,12-13,16,18,21H,11H2/t16-,18-,21-/m1/s1
InChI key： MCFXHZMSEMTKGW-HGHGUNKESA-N
SMILES： Clc1ncnc2n(cnc12)[C@@H]1SC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (4)：
  • (2R)-2β-(6-クロロ-9H-プリン-9-イル)テトラヒドロチオフェン-3α,4α-ジオールジベンゾアート
  • 二安息香酸2β-(6-クロロ-9H-プリン-9-イル)チオラン-3α,4α-ジイル
  • (3S,4R,5R)-4-(ベンゾイルオキシ)-5-(6-クロロ-9H-プリン-9-イル)チオラン-3-イル ベンゾアート
  • (3S,4R,5R)-4-(benzoyloxy)-5-(6-chloro-9H-purin-9-yl)thiolan-3-yl benzoate
Other name (2)：
  • (2R)-2β-(6-Chloro-9H-purine-9-yl)tetrahydrothiophene-3α,4α-diol dibenzoate
  • Dibenzoic acid 2β-(6-chloro-9H-purine-9-yl)thiolane-3α,4α-diyl ester
Thsaurus map：
Thesaurus Map

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