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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6)OC

InChI

InChI=1S/C30H44N8O2/c1-39-25-14-19(15-26(17-25)40-2)13-23-16-22(11-12-32-23)35-30-36-28(34-21-9-7-20(31)8-10-21)27-29(37-30)38(18-33-27)24-5-3-4-6-24/h14-15,17-18,20-24,32H,3-13,16,31H2,1-2H3,(H2,34,35,36,37)