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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[1-(phenylsulfinyl)ethyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-[1-(benzenesulfinyl)ethyl]-1-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-[1-(benzenesulfinyl)ethyl]-1-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-[1-(benzenesulfinyl)ethyl]piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-[1-(benzenesulfinyl)ethyl]piperidino]amino]-9-cyclopentyl-purin-2-yl]amine Formula: C29H42N8OS MolecularWeight: 550.76178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)S(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)S(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H42N8OS/c1-20(39(38)25-9-3-2-4-10-25)21-15-17-36(18-16-21)35-27-26-28(37(19-31-26)24-7-5-6-8-24)34-29(33-27)32-23-13-11-22(30)12-14-23/h2-4,9-10,19-24H,5-8,11-18,30H2,1H3,(H2,32,33,34,35)