2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-14-6-5-12(11(3)19)8-13(14)9-22-16-17-10(2)7-15(20)18-16/h5-8H,4,9H2,1-3H3,(H,17,18,20)/p-1