6-(4-acetamidophenyl)-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(4-acetamidophenyl)-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(4-acetamidophenyl)-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(4-acetamidophenyl)-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(4-acetamidophenyl)-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-(4-acetamidophenyl)-2-(methylthio)pyrimidin-4-olate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CC(=NC(=N2)SC)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CC(=NC(=N2)SC)[O-]

InChI

InChI=1S/C13H13N3O2S/c1-8(17)14-10-5-3-9(4-6-10)11-7-12(18)16-13(15-11)19-2/h3-7H,1-2H3,(H,14,17)(H,15,16,18)/p-1