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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(5-propoxypentyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(5-propoxypentyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(5-propoxypentyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(5-propoxypentyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(5-propoxypentyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C29H50N8O MolecularWeight: 526.7603

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCCOCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C29H50N8O/c1-2-17-38-18-7-3-4-8-23-19-24(15-16-31-23)34-29-35-27(33-22-13-11-21(30)12-14-22)26-28(36-29)37(20-32-26)25-9-5-6-10-25/h20-25,31H,2-19,30H2,1H3,(H2,33,34,35,36)