6-(2,5-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 6-(2,5-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 6-(2,5-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-(2,5-dimethylphenyl)-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 6-(2,5-dimethylphenyl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-(2,5-dimethylphenyl)-2-(methylthio)pyrimidine-4-carboxylate Formula: C14H13N2O2S- MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NC(=N2)SC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NC(=N2)SC)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c1-8-4-5-9(2)10(6-8)11-7-12(13(17)18)16-14(15-11)19-3/h4-7H,1-3H3,(H,17,18)/p-1