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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)S(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)S(=O)C6=CC=CC=C6

InChI

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