2-[2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]cyclohexyl]guanidine

Systemtic Name: 2-[2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]cyclohexyl]guanidine Openeye Name: 2-[2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]cyclohexyl]guanidine CAS Name: 2-[2-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]amino]cyclohexyl]guanidine IUPAC Name: 2-[2-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]amino]cyclohexyl]guanidine Traditional Name: 2-[2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]cyclohexyl]guanidine Formula: C20H26ClN9 MolecularWeight: 427.93374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NC4CCCCC4N=C(N)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NC4CCCCC4N=C(N)N

InChI

InChI=1S/C20H26ClN9/c1-2-30-11-24-16-17(25-13-7-5-6-12(21)10-13)28-20(29-18(16)30)27-15-9-4-3-8-14(15)26-19(22)23/h5-7,10-11,14-15H,2-4,8-9H2,1H3,(H4,22,23,26)(H2,25,27,28,29)