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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

CC1=CC=CC=C1CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

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