N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-methylbutyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-methylbutyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-isopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-methylbutyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-methylbutyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(isoamylamino)purin-2-yl]amine dihydrochloride Formula: C21H37Cl2N7 MolecularWeight: 458.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CC(C)CCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C21H35N7.2ClH/c1-14(2)11-12-23-19-18-20(28(13-24-18)17-5-3-4-6-17)27-21(26-19)25-16-9-7-15(22)8-10-16;;/h13-17H,3-12,22H2,1-2H3,(H2,23,25,26,27);2*1H