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

Systemtic Name: 2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: 2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetate IUPAC Name: 2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetate Formula: C15H13N2O3S- MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])C(=O)C

InChI

InChI=1S/C15H14N2O3S/c1-9-13(10(2)18)15(21-8-12(19)20)17-14(16-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,19,20)/p-1