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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-(5-butoxypentyl)piperidin-1-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-(5-butoxypentyl)-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-(5-butoxypentyl)-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-(5-butoxypentyl)piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(5-butoxypentyl)piperidino]amino]-9-cyclopentyl-purin-2-yl]amine Formula: C30H52N8O MolecularWeight: 540.78688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOCCCCCC1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C30H52N8O/c1-2-3-20-39-21-8-4-5-9-23-16-18-37(19-17-23)36-28-27-29(38(22-32-27)26-10-6-7-11-26)35-30(34-28)33-25-14-12-24(31)13-15-25/h22-26H,2-21,31H2,1H3,(H2,33,34,35,36)