N2-(4-azanylcyclohexyl)-N6-[1-(4-phenylphenyl)ethyl]-9-propan-2-yl-purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[1-(4-phenylphenyl)ethyl]-9-propan-2-yl-purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[1-(4-phenylphenyl)ethyl]purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[1-(4-phenylphenyl)ethyl]-9-propan-2-ylpurine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[1-(4-phenylphenyl)ethyl]-9-propan-2-ylpurine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[1-(4-phenylphenyl)ethylamino]purin-2-yl]amine hydrochloride Formula: C28H36ClN7 MolecularWeight: 506.08534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(C)C3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N.Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC(C)C3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C28H35N7.ClH/c1-18(2)35-17-30-25-26(33-28(34-27(25)35)32-24-15-13-23(29)14-16-24)31-19(3)20-9-11-22(12-10-20)21-7-5-4-6-8-21;/h4-12,17-19,23-24H,13-16,29H2,1-3H3,(H2,31,32,33,34);1H