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

Systemtic Name: 5-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C12H11N2O4S- MolecularWeight: 279.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

InChI

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