3-[(6-oxidanidyl-7H-purin-2-yl)sulfamoyl]benzoate

Systemtic Name: 3-[(6-oxidanidyl-7H-purin-2-yl)sulfamoyl]benzoate Openeye Name: 3-[(6-oxido-7H-purin-2-yl)sulfamoyl]benzoate CAS Name: 3-[(6-oxido-7H-purin-2-yl)sulfamoyl]benzoate IUPAC Name: 3-[(6-oxido-7H-purin-2-yl)sulfamoyl]benzoate Traditional Name: 3-[(6-oxido-7H-purin-2-yl)sulfamoyl]benzoate Formula: C12H7N5O5S-2 MolecularWeight: 333.27948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C(=O)[O-]

InChI

InChI=1S/C12H9N5O5S/c18-10-8-9(14-5-13-8)15-12(16-10)17-23(21,22)7-3-1-2-6(4-7)11(19)20/h1-5H,(H,19,20)(H3,13,14,15,16,17,18)/p-2