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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(2-methoxyphenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(2-methoxyphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(2-o-anisylpiperidino)amino]purin-2-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2CCCCN2NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC=CC=C1CC2CCCCN2NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8O/c1-38-25-12-5-2-8-20(25)18-24-11-6-7-17-37(24)35-27-26-28(36(19-31-26)23-9-3-4-10-23)34-29(33-27)32-22-15-13-21(30)14-16-22/h2,5,8,12,19,21-24H,3-4,6-7,9-11,13-18,30H2,1H3,(H2,32,33,34,35)