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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(1-propoxybutyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(1-propoxybutyl)-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(1-propoxybutyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(1-propoxybutyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(1-propoxybutyl)piperidino]amino]purin-6-yl]amine Formula: C28H48N8O MolecularWeight: 512.73372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N8O/c1-3-7-24(37-18-4-2)20-14-16-35(17-15-20)34-28-32-26(31-22-12-10-21(29)11-13-22)25-27(33-28)36(19-30-25)23-8-5-6-9-23/h19-24H,3-18,29H2,1-2H3,(H2,31,32,33,34)