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CMG

Summary
Name:6-O-CYCLOHEXYLMETHYL GUANINE
Formula:C12 H17 N5 O
Formal charge:0
Formula weight:247.296 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(cyclohexylmethoxy)-9H-purin-2-amine
OpenEye OEToolkits1.5.06-(cyclohexylmethoxy)-9H-purin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(ncn1)c(nc2N)OCC3CCCCC3
SMILES_CANONICALCACTVS3.341Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1
SMILESCACTVS3.341Nc1nc2[nH]cnc2c(OCC3CCCCC3)n1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
SMILESOpenEye OEToolkits1.5.0c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3
InChIInChI1.03InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKeyInChI1.03MWGXGTJJAOZBNW-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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