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

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxy-benzenesulfonamide Formula: C26H31N7O4S MolecularWeight: 537.63384

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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)OC)NC5CCC(CC5)O

Isomeric SMILES

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

InChI

InChI=1S/C26H31N7O4S/c1-3-33-16-27-23-24(30-26(31-25(23)33)29-18-8-10-20(34)11-9-18)28-17-4-6-19(7-5-17)32-38(35,36)22-14-12-21(37-2)13-15-22/h4-7,12-16,18,20,32,34H,3,8-11H2,1-2H3,(H2,28,29,30,31)