6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 2-methylsulfanyl-6-(p-tolyl)pyrimidine-4-carboxylate CAS Name: 6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 6-(4-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 2-(methylthio)-6-(p-tolyl)pyrimidine-4-carboxylate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2S/c1-8-3-5-9(6-4-8)10-7-11(12(16)17)15-13(14-10)18-2/h3-7H,1-2H3,(H,16,17)/p-1