N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-phenylazanylethyl)purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-phenylazanylethyl)purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(2-anilinoethyl)-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-(2-anilinoethyl)-9-cyclopentylpurine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(2-anilinoethyl)-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(2-anilinoethylamino)-9-cyclopentyl-purin-2-yl]amine trihydrochloride Formula: C24H37Cl3N8 MolecularWeight: 543.96318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl.Cl

InChI

InChI=1S/C24H34N8.3ClH/c25-17-10-12-19(13-11-17)29-24-30-22(27-15-14-26-18-6-2-1-3-7-18)21-23(31-24)32(16-28-21)20-8-4-5-9-20;;;/h1-3,6-7,16-17,19-20,26H,4-5,8-15,25H2,(H2,27,29,30,31);3*1H