3-(3-ethanoylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(3-ethanoylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(3-acetylphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(3-acetylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(3-acetylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(3-acetylphenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C13H10N2O4S/c1-7(16)8-3-2-4-9(5-8)15-11(17)10(12(18)19)6-14-13(15)20/h2-6H,1H3,(H,14,20)(H,18,19)