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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(4-phenoxyphenyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-phenoxyphenyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(4-phenoxyphenyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-phenoxyphenyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-phenoxyphenyl)benzenesulfonamide Formula: C31H33N7O4S MolecularWeight: 599.70322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C31H33N7O4S/c1-2-38-20-32-28-29(35-31(36-30(28)38)34-22-8-14-24(39)15-9-22)33-21-12-18-27(19-13-21)43(40,41)37-23-10-16-26(17-11-23)42-25-6-4-3-5-7-25/h3-7,10-13,16-20,22,24,37,39H,2,8-9,14-15H2,1H3,(H2,33,34,35,36)