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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)S(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)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)35-29-33-27(32-23-13-11-22(30)12-14-23)26-28(34-29)37(19-31-26)24-7-5-6-8-24/h2-4,9-10,19-24H,5-8,11-18,30H2,1H3,(H2,32,33,34,35)