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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-homoveratryl-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-21-11-4-3-9(7-12(11)22-2)5-6-17-13(18)10(14(19)20)8-16-15(17)23/h3-4,7-8H,5-6H2,1-2H3,(H,16,23)(H,19,20)