N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(m-tolylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-methylphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(3-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(3-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=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CC1=CC(=CC=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8/c1-20-5-4-6-22(17-20)18-21-13-15-36(16-14-21)35-27-26-28(37(19-31-26)25-7-2-3-8-25)34-29(33-27)32-24-11-9-23(30)10-12-24/h4-6,17,19,21,23-25H,2-3,7-16,18,30H2,1H3,(H2,32,33,34,35)