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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(4-phenylbutan-2-yl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(1-methyl-3-phenyl-propyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(4-phenylbutan-2-yl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(4-phenylbutan-2-yl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(1-methyl-3-phenyl-propyl)benzenesulfonamide Formula: C29H37N7O3S MolecularWeight: 563.71418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC(C)CCC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC(C)CCC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C29H37N7O3S/c1-3-36-19-30-26-27(33-29(34-28(26)36)32-23-11-15-24(37)16-12-23)31-22-13-17-25(18-14-22)40(38,39)35-20(2)9-10-21-7-5-4-6-8-21/h4-8,13-14,17-20,23-24,35,37H,3,9-12,15-16H2,1-2H3,(H2,31,32,33,34)