5-cyano-6-(furan-2-yl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(furan-2-yl)-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(2-furyl)-2-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(2-furanyl)-2-[(2-methoxy-2-oxoethyl)thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(furan-2-yl)-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-(2-furyl)-2-[(2-keto-2-methoxy-ethyl)thio]pyrimidin-4-olate Formula: C12H8N3O4S- MolecularWeight: 290.27462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CO2

Isomeric SMILES

COC(=O)CSC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CO2

InChI

InChI=1S/C12H9N3O4S/c1-18-9(16)6-20-12-14-10(8-3-2-4-19-8)7(5-13)11(17)15-12/h2-4H,6H2,1H3,(H,14,15,17)/p-1