CFB

?

Summary

Name:2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Synonyms:CLOFARABINE
Formula:C10 H11 Cl F N5 O3
Formal charge:0
Molecular weight:303.677 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine
OpenEye OEToolkits1.5.0(2R,3R,4S,5R)-5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
SMILES_CANONICALCACTVS3.341Nc1nc(Cl)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F
SMILESCACTVS3.341Nc1nc(Cl)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)F)Cl)N
InChIInChI1.03InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKeyInChI1.03WDDPHFBMKLOVOX-AYQXTPAHSA-N