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

Systemtic Name: N-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[3-[[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(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=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)29-17-7-9-20(34)10-8-17)28-18-5-4-6-19(15-18)32-38(35,36)22-13-11-21(37-2)12-14-22/h4-6,11-17,20,32,34H,3,7-10H2,1-2H3,(H2,28,29,30,31)