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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)OC

InChI

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