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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

Isomeric SMILES

CCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

InChI

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