9-ethyl-6-[[4-(5-fluoranyl-2-methyl-phenyl)phenyl]-sulfamoyl-amino]-2-[(4-oxidanylcyclohexyl)amino]purine

Systemtic Name: 9-ethyl-6-[[4-(5-fluoranyl-2-methyl-phenyl)phenyl]-sulfamoyl-amino]-2-[(4-oxidanylcyclohexyl)amino]purine Openeye Name: 9-ethyl-6-[4-(5-fluoro-2-methyl-phenyl)-N-sulfamoyl-anilino]-2-[(4-hydroxycyclohexyl)amino]purine CAS Name: 9-ethyl-6-[4-(5-fluoro-2-methylphenyl)-N-sulfamoylanilino]-2-[(4-hydroxycyclohexyl)amino]purine IUPAC Name: 9-ethyl-6-[4-(5-fluoro-2-methylphenyl)-N-sulfamoylanilino]-2-[(4-hydroxycyclohexyl)amino]purine Traditional Name: 9-ethyl-6-[4-(5-fluoro-2-methyl-phenyl)-N-sulfamoyl-anilino]-2-[(4-hydroxycyclohexyl)amino]purine Formula: C26H30FN7O3S MolecularWeight: 539.624903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=C(C=CC(=C4)F)C)S(=O)(=O)N)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4=C(C=CC(=C4)F)C)S(=O)(=O)N)NC5CCC(CC5)O

InChI

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