2-methyl-5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[(6-oxo-3,7-dihydropurin-2-yl)sulfamoyl]benzoic acid CAS Name: 2-methyl-5-[(6-oxo-3,7-dihydropurin-2-yl)sulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[(6-oxo-3,7-dihydropurin-2-yl)sulfamoyl]benzoic acid Traditional Name: 5-[(6-keto-3,7-dihydropurin-2-yl)sulfamoyl]-2-methyl-benzoic acid Formula: C13H11N5O5S MolecularWeight: 349.32194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)C(=O)O

InChI

InChI=1S/C13H11N5O5S/c1-6-2-3-7(4-8(6)12(20)21)24(22,23)18-13-16-10-9(11(19)17-13)14-5-15-10/h2-5H,1H3,(H,20,21)(H3,14,15,16,17,18,19)