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Summary

Name:~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Formula:C19 H24 Cl N7
Formal charge:0
Molecular weight:385.894 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKeyInChI1.03UTBSBSOBZHXMHI-LSDHHAIUSA-N
SMILES_CANONICALCACTVS3.385CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12
SMILESCACTVS3.385CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
SMILESOpenEye OEToolkits2.0.6CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N
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