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

Systemtic Name: 5-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 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-furancarboxylate IUPAC Name: 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]-2-furoate Formula: C12H11N2O4S- MolecularWeight: 279.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(O2)C(=O)[O-])C

InChI

InChI=1S/C12H12N2O4S/c1-6-7(2)13-12(14-10(6)15)19-5-8-3-4-9(18-8)11(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,15)/p-1