N2-(4-azanylcyclohexyl)-N6-[2-[(4-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[2-[(4-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[2-[(4-chlorophenyl)methylamino]ethyl]-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[2-[(4-chlorophenyl)methylamino]ethyl]-9-cyclopentylpurine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-[(4-chlorophenyl)methylamino]ethyl]-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[2-[(4-chlorobenzyl)amino]ethylamino]-9-cyclopentyl-purin-2-yl]amine trihydrochloride Formula: C25H38Cl4N8 MolecularWeight: 592.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)Cl)NC5CCC(CC5)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)Cl)NC5CCC(CC5)N.Cl.Cl.Cl

InChI

InChI=1S/C25H35ClN8.3ClH/c26-18-7-5-17(6-8-18)15-28-13-14-29-23-22-24(34(16-30-22)21-3-1-2-4-21)33-25(32-23)31-20-11-9-19(27)10-12-20;;;/h5-8,16,19-21,28H,1-4,9-15,27H2,(H2,29,31,32,33);3*1H