3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-5-fluoranyl-2-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-5-fluoranyl-2-methyl-N-phenyl-benzenesulfonamide Openeye Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-5-fluoro-2-methyl-N-phenyl-benzenesulfonamide CAS Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-5-fluoro-2-methyl-N-phenylbenzenesulfonamide IUPAC Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-5-fluoro-2-methyl-N-phenylbenzenesulfonamide Traditional Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-5-fluoro-2-methyl-N-phenyl-benzenesulfonamide Formula: C26H30FN7O3S MolecularWeight: 539.624903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3C)S(=O)(=O)NC4=CC=CC=C4)F)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC(=C3C)S(=O)(=O)NC4=CC=CC=C4)F)NC5CCC(CC5)O

InChI

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