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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2-methylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(o-tolylmethyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2-methylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(2-methylbenzyl)amino]purin-2-yl]amine Formula: C24H33N7 MolecularWeight: 419.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C24H33N7/c1-16-6-2-3-7-17(16)14-26-22-21-23(31(15-27-21)20-8-4-5-9-20)30-24(29-22)28-19-12-10-18(25)11-13-19/h2-3,6-7,15,18-20H,4-5,8-14,25H2,1H3,(H2,26,28,29,30)