N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-7,8-dihydropurine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-7,8-dihydropurine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]-7,8-dihydropurine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-7,8-dihydropurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-7,8-dihydropurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(1-m-anisyl-4-piperidyl)amino]-7,8-dihydropurin-2-yl]amine Formula: C29H44N8O MolecularWeight: 520.71266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)NC3=NC(=NC4=C3NCN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)NC3=NC(=NC4=C3NCN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H44N8O/c1-38-25-8-4-5-20(17-25)18-36-15-13-23(14-16-36)32-27-26-28(37(19-31-26)24-6-2-3-7-24)35-29(34-27)33-22-11-9-21(30)10-12-22/h4-5,8,17,21-24,31H,2-3,6-7,9-16,18-19,30H2,1H3,(H2,32,33,34,35)