N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-imidazol-1-ylpropyl)purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-imidazol-1-ylpropyl)purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-imidazol-1-ylpropyl)purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[3-(1-imidazolyl)propyl]purine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-imidazol-1-ylpropyl)purine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-imidazol-1-ylpropylamino)purin-8-yl]amine dihydrochloride Formula: C22H35Cl2N9 MolecularWeight: 496.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCN4C=CN=C4)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCN4C=CN=C4)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H33N9.2ClH/c23-16-6-8-17(9-7-16)28-22-29-19-20(25-10-3-12-30-13-11-24-15-30)26-14-27-21(19)31(22)18-4-1-2-5-18;;/h11,13-18H,1-10,12,23H2,(H,28,29)(H,25,26,27);2*1H