methyl 2-cyano-2-(5-cyano-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)ethanoate

Systemtic Name: methyl 2-cyano-2-(5-cyano-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)ethanoate Openeye Name: methyl 2-cyano-2-(5-cyano-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)acetate CAS Name: 2-cyano-2-[5-cyano-6-(methylthio)-2-phenyl-4-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-(5-cyano-6-methylsulfanyl-2-phenylpyrimidin-4-yl)acetate Traditional Name: 2-cyano-2-[5-cyano-6-(methylthio)-2-phenyl-pyrimidin-4-yl]acetic acid methyl ester Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C#N

Isomeric SMILES

COC(=O)C(C#N)C1=C(C(=NC(=N1)C2=CC=CC=C2)SC)C#N

InChI

InChI=1S/C16H12N4O2S/c1-22-16(21)12(9-18)13-11(8-17)15(23-2)20-14(19-13)10-6-4-3-5-7-10/h3-7,12H,1-2H3