6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)pyrimidin-4-olate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SC)[O-])OC

InChI

InChI=1S/C13H14N2O3S/c1-17-10-5-4-8(6-11(10)18-2)9-7-12(16)15-13(14-9)19-3/h4-7H,1-3H3,(H,14,15,16)/p-1