3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H9ClN2O4S MolecularWeight: 312.72886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4S/c1-19-9-3-2-6(4-8(9)13)15-10(16)7(11(17)18)5-14-12(15)20/h2-5H,1H3,(H,14,20)(H,17,18)