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

Systemtic Name: N6-(4-aminophenyl)-N2-(4-azanylcyclohexyl)-9-cyclopentyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-aminophenyl)-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-(4-aminophenyl)-9-cyclopentylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-aminophenyl)-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: [6-(4-aminoanilino)-9-cyclopentyl-purin-2-yl]-(4-aminocyclohexyl)amine dihydrochloride Formula: C22H32Cl2N8 MolecularWeight: 479.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H30N8.2ClH/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17;;/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,23-24H2,(H2,26,27,28,29);2*1H