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6CR

Summary
Name:6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine
Formula:C10 H12 Cl N5 O4
Formal charge:0
Formula weight:301.686 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine
OpenEye OEToolkits1.7.6(2R,3R,4S,5R)-2-(2-azanyl-6-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N
InChIInChI1.03InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKeyInChI1.03TXWHPSZYRUHEGT-UUOKFMHZSA-N
SMILES_CANONICALCACTVS3.370Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SMILESCACTVS3.370Nc1nc(Cl)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N
SMILESOpenEye OEToolkits1.7.6c1nc2c(n1C3C(C(C(O3)CO)O)O)nc(nc2Cl)N

218853

PDB entries from 2024-04-24

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