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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

CC1=CC=C(C=C1)CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H42N8/c1-20-6-8-21(9-7-20)18-22-14-16-36(17-15-22)35-29-33-27(32-24-12-10-23(30)11-13-24)26-28(34-29)37(19-31-26)25-4-2-3-5-25/h6-9,19,22-25H,2-5,10-18,30H2,1H3,(H2,32,33,34,35)