3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-20-10-4-2-9(3-5-10)6-7-16-12(17)11(13(18)19)8-15-14(16)21/h2-5,8H,6-7H2,1H3,(H,15,21)(H,18,19)