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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCCCOCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C30H52N8O/c1-2-3-18-39-19-8-4-5-9-24-20-25(16-17-32-24)35-30-36-28(34-23-14-12-22(31)13-15-23)27-29(37-30)38(21-33-27)26-10-6-7-11-26/h21-26,32H,2-20,31H2,1H3,(H2,34,35,36,37)