N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(o-tolylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(2-methylphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-methylbenzyl)piperidino]amino]purin-2-yl]amine Formula: C29H42N8 MolecularWeight: 502.69738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CC1=CC=CC=C1CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8/c1-20-6-2-3-7-22(20)18-21-14-16-36(17-15-21)35-27-26-28(37(19-31-26)25-8-4-5-9-25)34-29(33-27)32-24-12-10-23(30)11-13-24/h2-3,6-7,19,21,23-25H,4-5,8-18,30H2,1H3,(H2,32,33,34,35)