2-methylsulfanyl-6-phenyl-pyrimidine-4-carboxylate

Systemtic Name: 2-methylsulfanyl-6-phenyl-pyrimidine-4-carboxylate Openeye Name: 2-methylsulfanyl-6-phenyl-pyrimidine-4-carboxylate CAS Name: 2-(methylthio)-6-phenyl-4-pyrimidinecarboxylate IUPAC Name: 2-methylsulfanyl-6-phenylpyrimidine-4-carboxylate Traditional Name: 2-(methylthio)-6-phenyl-pyrimidine-4-carboxylate Formula: C12H9N2O2S- MolecularWeight: 245.27706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C12H10N2O2S/c1-17-12-13-9(7-10(14-12)11(15)16)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)/p-1