methyl 2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)