3-cyano-N-(6-oxidanylidene-3,7-dihydropurin-2-yl)benzenesulfonamide

Systemtic Name: 3-cyano-N-(6-oxidanylidene-3,7-dihydropurin-2-yl)benzenesulfonamide Openeye Name: 3-cyano-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide CAS Name: 3-cyano-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide IUPAC Name: 3-cyano-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide Traditional Name: 3-cyano-N-(6-keto-3,7-dihydropurin-2-yl)benzenesulfonamide Formula: C12H8N6O3S MolecularWeight: 316.29532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)C#N

InChI

InChI=1S/C12H8N6O3S/c13-5-7-2-1-3-8(4-7)22(20,21)18-12-16-10-9(11(19)17-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)