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

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-N-methylbenzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-methylbenzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide Formula: C26H31N7O3S MolecularWeight: 521.63444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N7O3S/c1-3-33-17-27-23-24(30-26(31-25(23)33)29-19-11-15-21(34)16-12-19)28-18-9-13-20(14-10-18)32(2)37(35,36)22-7-5-4-6-8-22/h4-10,13-14,17,19,21,34H,3,11-12,15-16H2,1-2H3,(H2,28,29,30,31)