N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-phenylazanylethyl)purine-6,8-diamine trihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-phenylazanylethyl)purine-6,8-diamine trihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-N6-(2-anilinoethyl)-9-cyclopentyl-purine-6,8-diamine trihydrochloride CAS Name: N8-(4-aminocyclohexyl)-N6-(2-anilinoethyl)-9-cyclopentylpurine-6,8-diamine trihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-(2-anilinoethyl)-9-cyclopentylpurine-6,8-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(2-anilinoethylamino)-9-cyclopentyl-purin-8-yl]amine trihydrochloride Formula: C24H37Cl3N8 MolecularWeight: 543.96318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCNC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCNC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl.Cl

InChI

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