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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCC

InChI

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