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

Systemtic Name: methyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-10-12(8-16)15(21-9-13(19)20-2)18-14(17-10)11-6-4-3-5-7-11/h3-7H,9H2,1-2H3