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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(4-morpholin-4-ylphenyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-morpholinophenyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-[4-(4-morpholinyl)phenyl]benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-morpholin-4-ylphenyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-morpholinophenyl)benzenesulfonamide Formula: C29H36N8O4S MolecularWeight: 592.71234

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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)N5CCOCC5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)N5CCOCC5)NC6CCC(CC6)O

InChI

InChI=1S/C29H36N8O4S/c1-2-36-19-30-26-27(33-29(34-28(26)36)32-21-5-11-24(38)12-6-21)31-20-7-13-25(14-8-20)42(39,40)35-22-3-9-23(10-4-22)37-15-17-41-18-16-37/h3-4,7-10,13-14,19,21,24,35,38H,2,5-6,11-12,15-18H2,1H3,(H2,31,32,33,34)