1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-phenyl-cyclohexane-1-sulfonamide

Systemtic Name: 1-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-phenyl-cyclohexane-1-sulfonamide Openeye Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-phenyl-cyclohexanesulfonamide CAS Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]-N-phenyl-1-cyclohexanesulfonamide IUPAC Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]-N-phenylcyclohexane-1-sulfonamide Traditional Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-phenyl-cyclohexanesulfonamide Formula: C25H36N8O2S MolecularWeight: 512.67074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3(CCCCC3)S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3(CCCCC3)S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)N

InChI

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