methyl 5-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(O2)C(=O)OC)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(O2)C(=O)OC)C

InChI

InChI=1S/C13H14N2O4S/c1-7-8(2)14-13(15-11(7)16)20-6-9-4-5-10(19-9)12(17)18-3/h4-5H,6H2,1-3H3,(H,14,15,16)