N2-(2-azanylcyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylcyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-ethyl-purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-ethyl-purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-ethylpurine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[6-[(4-chlorobenzyl)amino]-9-ethyl-purin-2-yl]amine Formula: C20H26ClN7 MolecularWeight: 399.92034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)NC4CCCCC4N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)NC4CCCCC4N

InChI

InChI=1S/C20H26ClN7/c1-2-28-12-24-17-18(23-11-13-7-9-14(21)10-8-13)26-20(27-19(17)28)25-16-6-4-3-5-15(16)22/h7-10,12,15-16H,2-6,11,22H2,1H3,(H2,23,25,26,27)