N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenethyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenethylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenethylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(phenethylamino)purin-2-yl]amine dihydrochloride Formula: C24H35Cl2N7 MolecularWeight: 492.4876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

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