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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(5-propoxypentyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(5-propoxypentyl)-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(5-propoxypentyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(5-propoxypentyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[1-(5-propoxypentyl)-4-piperidyl]amino]purin-2-yl]amine Formula: C29H50N8O MolecularWeight: 526.7603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCOCCCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C29H50N8O/c1-2-19-38-20-7-3-6-16-36-17-14-24(15-18-36)32-27-26-28(37(21-31-26)25-8-4-5-9-25)35-29(34-27)33-23-12-10-22(30)11-13-23/h21-25H,2-20,30H2,1H3,(H2,32,33,34,35)