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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCC

Isomeric SMILES

CCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCC

InChI

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