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

Systemtic Name: N2-(4-azanylcyclohexyl)-4-cyclopentyl-N6-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-4-cyclopentyl-N6-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-1-yl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-4-cyclopentyl-N6-[1-[(3,5-dimethoxyphenyl)methyl]-1-piperidin-1-iumyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-4-cyclopentyl-6-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[4-cyclopentyl-6-[[1-(3,5-dimethoxybenzyl)piperidin-1-ium-1-yl]amino]purin-2-yl]amine Formula: C30H45N8O2+ MolecularWeight: 549.7307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[N+]2(CCCCC2)NC3=NC(=NC4(C3=NC=N4)C5CCCC5)NC6CCC(CC6)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[N+]2(CCCCC2)NC3=NC(=NC4(C3=NC=N4)C5CCCC5)NC6CCC(CC6)N)OC

InChI

InChI=1S/C30H45N8O2/c1-39-25-16-21(17-26(18-25)40-2)19-38(14-6-3-7-15-38)37-28-27-30(33-20-32-27,22-8-4-5-9-22)36-29(35-28)34-24-12-10-23(31)11-13-24/h16-18,20,22-24H,3-15,19,31H2,1-2H3,(H2,34,35,36,37)/q+1