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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

Isomeric SMILES

CCCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

InChI

InChI=1S/C29H50N8O/c1-3-5-10-25(38-17-4-2)24-18-22(15-16-31-24)34-29-35-27(33-21-13-11-20(30)12-14-21)26-28(36-29)37(19-32-26)23-8-6-7-9-23/h19-25,31H,3-18,30H2,1-2H3,(H2,33,34,35,36)