4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(5-fluoranyl-2-methyl-phenyl)benzenesulfonamide

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(5-fluoranyl-2-methyl-phenyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(5-fluoro-2-methyl-phenyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(5-fluoro-2-methyl-phenyl)benzenesulfonamide Formula: C26H30FN7O3S MolecularWeight: 539.624903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C=CC(=C4)F)C)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C=CC(=C4)F)C)NC5CCC(CC5)O

InChI

InChI=1S/C26H30FN7O3S/c1-3-34-15-28-23-24(31-26(32-25(23)34)30-19-6-10-20(35)11-7-19)29-18-8-12-21(13-9-18)38(36,37)33-22-14-17(27)5-4-16(22)2/h4-5,8-9,12-15,19-20,33,35H,3,6-7,10-11H2,1-2H3,(H2,29,30,31,32)