N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]cyclohexyl]benzenesulfonamide

Systemtic Name: N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]cyclohexyl]benzenesulfonamide Openeye Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]cyclohexyl]benzenesulfonamide CAS Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]cyclohexyl]benzenesulfonamide IUPAC Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]cyclohexyl]benzenesulfonamide Traditional Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]cyclohexyl]benzenesulfonamide Formula: C25H36N8O2S MolecularWeight: 512.67074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C25H36N8O2S/c1-2-33-16-27-22-23(30-25(31-24(22)33)29-19-10-8-17(26)9-11-19)28-18-12-14-20(15-13-18)32-36(34,35)21-6-4-3-5-7-21/h3-7,16-20,32H,2,8-15,26H2,1H3,(H2,28,29,30,31)