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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N7O2.ClH/c1-33-20-8-5-9-21(34-2)19(20)14-27-23-22-24(32(15-28-22)18-6-3-4-7-18)31-25(30-23)29-17-12-10-16(26)11-13-17;/h5,8-9,15-18H,3-4,6-7,10-14,26H2,1-2H3,(H2,27,29,30,31);1H