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

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-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)NS(=O)(=O)C4=CC=C(C=C4)C)NC5CCC(CC5)O

Isomeric SMILES

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

InChI

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