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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCC1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCCOCCCCCC1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

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