5-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c1-23-11-4-2-10(3-5-11)13-8-15(20)19-17(18-13)25-9-12-6-7-14(24-12)16(21)22/h2-8H,9H2,1H3,(H,21,22)(H,18,19,20)