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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(2-azanylethyl)-9-cyclopentyl-purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(2-aminoethyl)-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-(2-aminoethyl)-9-cyclopentylpurine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(2-aminoethyl)-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(2-aminoethylamino)-9-cyclopentyl-purin-2-yl]amine trihydrochloride Formula: C18H33Cl3N8 MolecularWeight: 467.86722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCN)NC4CCC(CC4)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCN)NC4CCC(CC4)N.Cl.Cl.Cl

InChI

InChI=1S/C18H30N8.3ClH/c19-9-10-21-16-15-17(26(11-22-15)14-3-1-2-4-14)25-18(24-16)23-13-7-5-12(20)6-8-13;;;/h11-14H,1-10,19-20H2,(H2,21,23,24,25);3*1H