N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenethylpurine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenethylpurine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(phenethylamino)purin-8-yl]amine dihydrochloride Formula: C24H35Cl2N7 MolecularWeight: 492.4876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C24H33N7.2ClH/c25-18-10-12-19(13-11-18)29-24-30-21-22(26-15-14-17-6-2-1-3-7-17)27-16-28-23(21)31(24)20-8-4-5-9-20;;/h1-3,6-7,16,18-20H,4-5,8-15,25H2,(H,29,30)(H,26,27,28);2*1H