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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-oxidanyl-benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-hydroxy-benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-hydroxybenzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-hydroxybenzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-hydroxy-benzenesulfonamide Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NO)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NO)NC4CCC(CC4)O

InChI

InChI=1S/C19H25N7O4S/c1-2-26-11-20-16-17(21-12-5-9-15(10-6-12)31(29,30)25-28)23-19(24-18(16)26)22-13-3-7-14(27)8-4-13/h5-6,9-11,13-14,25,27-28H,2-4,7-8H2,1H3,(H2,21,22,23,24)