6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)pyrimidine-4-carboxylate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)C(=O)[O-])OC

InChI

InChI=1S/C14H14N2O4S/c1-19-11-5-4-8(6-12(11)20-2)9-7-10(13(17)18)16-14(15-9)21-3/h4-7H,1-3H3,(H,17,18)/p-1