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

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-[3-(pyridin-4-ylsulfanylmethyl)phenyl]-1H-pyrimidine-4,5-dione Openeye Name: 6-(dihydroxymethylene)-2-[3-(4-pyridylsulfanylmethyl)phenyl]-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-[3-[(pyridin-4-ylthio)methyl]phenyl]-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-[3-(pyridin-4-ylsulfanylmethyl)phenyl]-1H-pyrimidine-4,5-dione Traditional Name: 6-(dihydroxymethylene)-2-[3-[(4-pyridylthio)methyl]phenyl]-1H-pyrimidine-4,5-quinone Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=NC=C2)C3=NC(=O)C(=O)C(=C(O)O)N3

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=NC=C2)C3=NC(=O)C(=O)C(=C(O)O)N3

InChI

InChI=1S/C17H13N3O4S/c21-14-13(17(23)24)19-15(20-16(14)22)11-3-1-2-10(8-11)9-25-12-4-6-18-7-5-12/h1-8,23-24H,9H2,(H,19,20,22)