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

Systemtic Name: methyl 2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-10-14(11(2)19)16(22-9-13(20)21-3)18-15(17-10)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3