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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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