ethyl 2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate CAS Name: 2-(methylthio)-6-(2-phenylethynyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Traditional Name: 2-(methylthio)-6-(2-phenylethynyl)pyrimidine-4-carboxylic acid ethyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NC(=C1)C#CC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=NC(=NC(=C1)C#CC2=CC=CC=C2)SC

InChI

InChI=1S/C16H14N2O2S/c1-3-20-15(19)14-11-13(17-16(18-14)21-2)10-9-12-7-5-4-6-8-12/h4-8,11H,3H2,1-2H3