3-(4,5-dimethoxy-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(4,5-dimethoxy-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4,5-dimethoxy-2-sulfanyl-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(2-mercapto-4,5-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4,5-dimethoxy-2-sulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2,4-diketo-3-(2-mercapto-4,5-dimethoxy-phenyl)-1H-pyrimidine-5-carboxylic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C(=O)C(=CNC2=O)C(=O)O)S)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C(=O)C(=CNC2=O)C(=O)O)S)OC

InChI

InChI=1S/C13H12N2O6S/c1-20-8-3-7(10(22)4-9(8)21-2)15-11(16)6(12(17)18)5-14-13(15)19/h3-5,22H,1-2H3,(H,14,19)(H,17,18)