Chem
J-GLOBAL ID：200907043370528560   Nikkaji number：J1.541.757I

N-(3-Iodobenzyl)-2-chloro-9-[(1β)-3α,4α-dihydroxy-5β-(methylcarbamoyl)bicyclo[3.1.0]hexane-2β-yl]-9H-purine-6-amine

N-(3-ヨードベンジル)-2-クロロ-9-[(1β)-3α,4α-ジヒドロキシ-5β-(メチルカルバモイル)ビシクロ[3.1.0]ヘキサン-2β-イル]-9H-プリン-6-アミン
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： C20H20ClIN6O3
Molecular formula furigana： C20-H20-CL-I-N6-O3
Molecular weight： 554.770
InChI： InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
InChI key： AGCJNWSEWOWGRS-DDDALXFXSA-N
SMILES： CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Systematic name  (3)：
  • N-(3-ヨードベンジル)-2-クロロ-9-[(1β)-3α,4α-ジヒドロキシ-5β-(メチルカルバモイル)ビシクロ[3.1.0]ヘキサン-2β-イル]-9H-プリン-6-アミン
  • (1S,2R,3S,4R,5S)-4-(2-クロロ-6-{[(3-ヨードフェニル)メチル]アミノ}-9H-プリン-9-イル)-2,3-ジヒドロキシ-N-メチルビシクロ[3.1.0]ヘキサン-1-カルボキサミド
  • (1S,2R,3S,4R,5S)-4-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Other name (1)：
  • N-(3-Iodobenzyl)-2-chloro-9-[(1β)-3α,4α-dihydroxy-5β-(methylcarbamoyl)bicyclo[3.1.0]hexane-2β-yl]-9H-purine-6-amine
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