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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3-methylphenyl)methyl]purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(m-tolylmethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3-methylphenyl)methyl]purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3-methylphenyl)methyl]purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(3-methylbenzyl)amino]purin-2-yl]amine dihydrochloride Formula: C24H35Cl2N7 MolecularWeight: 492.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C24H33N7.2ClH/c1-16-5-4-6-17(13-16)14-26-22-21-23(31(15-27-21)20-7-2-3-8-20)30-24(29-22)28-19-11-9-18(25)10-12-19;;/h4-6,13,15,18-20H,2-3,7-12,14,25H2,1H3,(H2,26,28,29,30);2*1H