N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,5-dimethoxyphenyl)methyl]purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,5-dimethoxyphenyl)methyl]purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,5-dimethoxyphenyl)methyl]purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,5-dimethoxyphenyl)methyl]purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3,5-dimethoxyphenyl)methyl]purine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(3,5-dimethoxybenzyl)amino]purin-2-yl]amine hydrochloride Formula: C25H36ClN7O2 MolecularWeight: 502.05204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC.Cl

InChI

InChI=1S/C25H35N7O2.ClH/c1-33-20-11-16(12-21(13-20)34-2)14-27-23-22-24(32(15-28-22)19-5-3-4-6-19)31-25(30-23)29-18-9-7-17(26)8-10-18;/h11-13,15,17-19H,3-10,14,26H2,1-2H3,(H2,27,29,30,31);1H