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

Systemtic Name: ethyl 2-cyano-2-(5-cyano-6-methylsulfanyl-2-phenyl-pyrimidin-4-yl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2S/c1-3-23-17(22)13(10-19)14-12(9-18)16(24-2)21-15(20-14)11-7-5-4-6-8-11/h4-8,13H,3H2,1-2H3