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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N)OC

InChI

InChI=1S/C30H44N8O2/c1-39-25-15-20(16-26(17-25)40-2)18-37-13-11-23(12-14-37)33-28-27-29(38(19-32-27)24-5-3-4-6-24)36-30(35-28)34-22-9-7-21(31)8-10-22/h15-17,19,21-24H,3-14,18,31H2,1-2H3,(H2,33,34,35,36)