N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide

Systemtic Name: N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Openeye Name: N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]benzenesulfonamide IUPAC Name: N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N-(3-chlorophenyl)-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C25H28ClN7O3S MolecularWeight: 542.05292

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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(=CC=C4)Cl)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)NC5CCC(CC5)O

InChI

InChI=1S/C25H28ClN7O3S/c1-2-33-15-27-22-23(30-25(31-24(22)33)29-18-6-10-20(34)11-7-18)28-17-8-12-21(13-9-17)37(35,36)32-19-5-3-4-16(26)14-19/h3-5,8-9,12-15,18,20,32,34H,2,6-7,10-11H2,1H3,(H2,28,29,30,31)