Chem
J-GLOBAL ID：200907024388915486   Nikkaji number：J2.558.313B

Benzoic acid [(3aβ,6aβ)-tetrahydro-2,2-dimethyl-4-(6-chloro-9H-purine-9-yl)thieno[3,4-d]-1,3-dioxole-4α-yl]methyl ester

安息香酸[(3aβ,6aβ)-テトラヒドロ-2,2-ジメチル-4-(6-クロロ-9H-プリン-9-イル)チエノ[3,4-d]-1,3-ジオキソール-4α-イル]メチル
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： C20H19ClN4O4S
Molecular formula furigana： C20-H19-CL-N4-O4-S
Molecular weight： 446.910
InChI： InChI=1S/C20H19ClN4O4S/c1-19(2)28-13-8-30-20(15(13)29-19,9-27-18(26)12-6-4-3-5-7-12)25-11-24-14-16(21)22-10-23-17(14)25/h3-7,10-11,13,15H,8-9H2,1-2H3/t13-,15-,20-/m0/s1
InChI key： INVDQXVJLULSKA-KPHUOKFYSA-N
SMILES： CC1(C)O[C@H]2CS[C@@](COC(=O)c3ccccc3)([C@H]2O1)n1cnc2c(Cl)ncnc12
Systematic name  (3)：
  • 安息香酸[(3aβ,6aβ)-テトラヒドロ-2,2-ジメチル-4-(6-クロロ-9H-プリン-9-イル)チエノ[3,4-d]-1,3-ジオキソール-4α-イル]メチル
  • [(3aS,4S,6aR)-4-(6-クロロ-9H-プリン-9-イル)-2,2-ジメチル-テトラヒドロ-2H-チエノ[3,4-d][1,3]ジオキソール-4-イル]メチル ベンゾアート
  • [(3aS,4S,6aR)-4-(6-chloro-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-thieno[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [(3aβ,6aβ)-tetrahydro-2,2-dimethyl-4-(6-chloro-9H-purine-9-yl)thieno[3,4-d]-1,3-dioxole-4α-yl]methyl ester
Thsaurus map：
Thesaurus Map

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