N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3,5-dimethoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3,5-dimethoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(3,5-dimethoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(3,5-dimethoxybenzyl)piperidino]amino]purin-2-yl]amine Formula: C30H44N8O2 MolecularWeight: 548.72276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)OC

InChI

InChI=1S/C30H44N8O2/c1-39-25-16-21(17-26(18-25)40-2)15-20-11-13-37(14-12-20)36-28-27-29(38(19-32-27)24-5-3-4-6-24)35-30(34-28)33-23-9-7-22(31)8-10-23/h16-20,22-24H,3-15,31H2,1-2H3,(H2,33,34,35,36)