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PU2

Summary
Name:8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Formula:C14 H14 F N5 O2
Formal charge:0
Formula weight:303.292 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.048-(2,5-dimethoxybenzyl)-2-fluoro-7H-purin-6-amine
OpenEye OEToolkits1.5.08-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-7H-purin-6-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC
SMILES_CANONICALCACTVS3.341COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1
SMILESCACTVS3.341COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC
SMILESOpenEye OEToolkits1.5.0COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC
InChIInChI1.03InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyInChI1.03MWHAHELTVGJGFJ-UHFFFAOYSA-N

222415

건을2024-07-10부터공개중

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