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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CCC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCOC(CCC)C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

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