Chem
J-GLOBAL ID：200907014657356175   Nikkaji number：J2.643.254E

Benzoic acid [(1S,2R,3R)-2β-(hydroxymethyl)-3α-(6-chloro-9H-purine-9-yl)cyclobutane]-1α-ylmethyl ester

[(1S,2R,3R)-3-(6-クロロ-9H-プリン-9-イル)-2-(ヒドロキシメチル)シクロブチル]メチル ベンゾアート
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： C18H17ClN4O3
Molecular formula furigana： C18-H17-CL-N4-O3
Molecular weight： 372.810
InChI： InChI=1S/C18H17ClN4O3/c19-16-15-17(21-9-20-16)23(10-22-15)14-6-12(13(14)7-24)8-26-18(25)11-4-2-1-3-5-11/h1-5,9-10,12-14,24H,6-8H2/t12-,13-,14-/m1/s1
InChI key： CDURXQQGCRVCMR-MGPQQGTHSA-N
SMILES： OC[C@@H]1[C@@H](COC(=O)c2ccccc2)C[C@H]1n1cnc2c(Cl)ncnc12
Systematic name  (3)：
  • 安息香酸[(1S,2R,3R)-2β-(ヒドロキシメチル)-3α-(6-クロロ-9H-プリン-9-イル)シクロブタン]-1α-イルメチル
  • [(1S,2R,3R)-3-(6-クロロ-9H-プリン-9-イル)-2-(ヒドロキシメチル)シクロブチル]メチル ベンゾアート
  • [(1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl benzoate
Other name (1)：
  • Benzoic acid [(1S,2R,3R)-2β-(hydroxymethyl)-3α-(6-chloro-9H-purine-9-yl)cyclobutane]-1α-ylmethyl ester
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