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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2,3-dimethoxyphenyl)methyl]purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2,3-dimethoxyphenyl)methyl]purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2,3-dimethoxyphenyl)methyl]purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2,3-dimethoxyphenyl)methyl]purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(o-veratrylamino)purin-2-yl]amine dihydrochloride Formula: C25H37Cl2N7O2 MolecularWeight: 538.51298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

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