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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(5-methoxypentyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(5-methoxypentyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(5-methoxypentyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(5-methoxypentyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(5-methoxypentyl)piperidino]amino]purin-2-yl]amine Formula: C27H46N8O MolecularWeight: 498.70714

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

COCCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H46N8O/c1-36-18-6-2-3-7-20-14-16-34(17-15-20)33-25-24-26(35(19-29-24)23-8-4-5-9-23)32-27(31-25)30-22-12-10-21(28)11-13-22/h19-23H,2-18,28H2,1H3,(H2,30,31,32,33)