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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

COC1=CC=CC=C1CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

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