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

Systemtic Name: methyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropanoate Openeye Name: methyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropanoate CAS Name: 2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylpropanoate Traditional Name: 2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]propionic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC(C)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC(C)C(=O)OC)C#N

InChI

InChI=1S/C16H15N3O2S/c1-10-13(9-17)15(22-11(2)16(20)21-3)19-14(18-10)12-7-5-4-6-8-12/h4-8,11H,1-3H3