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

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-benzenesulfonamide Openeye Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-benzenesulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-methyl-N-phenylbenzenesulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenylbenzenesulfonamide Traditional Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-N-phenyl-benzenesulfonamide Formula: C26H31N7O3S MolecularWeight: 521.63444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=CC=C3S(=O)(=O)NC4=CC=CC=C4)C)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=CC=C3S(=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)28-18-12-14-20(34)15-13-18)29-22-17(2)8-7-11-21(22)37(35,36)32-19-9-5-4-6-10-19/h4-11,16,18,20,32,34H,3,12-15H2,1-2H3,(H2,28,29,30,31)