2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide Formula: C26H28F3N7O3S MolecularWeight: 575.60583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=CC=C3S(=O)(=O)NC4=CC=CC=C4)C(F)(F)F)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=CC=C3S(=O)(=O)NC4=CC=CC=C4)C(F)(F)F)NC5CCC(CC5)O

InChI

InChI=1S/C26H28F3N7O3S/c1-2-36-15-30-22-23(33-25(34-24(22)36)31-16-11-13-18(37)14-12-16)32-21-19(26(27,28)29)9-6-10-20(21)40(38,39)35-17-7-4-3-5-8-17/h3-10,15-16,18,35,37H,2,11-14H2,1H3,(H2,31,32,33,34)