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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[1-(6-butoxyhexyl)piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[1-(6-butoxyhexyl)-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[1-(6-butoxyhexyl)-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[1-(6-butoxyhexyl)piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[1-(6-butoxyhexyl)-4-piperidyl]amino]-9-cyclopentyl-purin-6-yl]amine Formula: C31H54N8O MolecularWeight: 554.81346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCCCOCCCCCCN1CCC(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C31H54N8O/c1-2-3-21-40-22-9-5-4-8-18-38-19-16-26(17-20-38)35-31-36-29(34-25-14-12-24(32)13-15-25)28-30(37-31)39(23-33-28)27-10-6-7-11-27/h23-27H,2-22,32H2,1H3,(H2,34,35,36,37)