6-[bis(oxidanyl)methylidene]-2-[3-(thiophen-2-ylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-[3-(thiophen-2-ylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-dione Openeye Name: 6-(dihydroxymethylene)-2-[3-(2-thienylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-[3-(thiophen-2-ylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-[3-(thiophen-2-ylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-dione Traditional Name: 6-(dihydroxymethylene)-2-[3-(2-thienylsulfonylmethyl)phenyl]-1H-pyrimidine-4,5-quinone Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=CS2)C3=NC(=O)C(=O)C(=C(O)O)N3

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)C2=CC=CS2)C3=NC(=O)C(=O)C(=C(O)O)N3

InChI

InChI=1S/C16H12N2O6S2/c19-13-12(16(21)22)17-14(18-15(13)20)10-4-1-3-9(7-10)8-26(23,24)11-5-2-6-25-11/h1-7,21-22H,8H2,(H,17,18,20)