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

Systemtic Name: 5-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O)CCO

InChI

InChI=1S/C13H14N2O5S/c1-7-9(4-5-16)11(17)15-13(14-7)21-6-8-2-3-10(20-8)12(18)19/h2-3,16H,4-6H2,1H3,(H,18,19)(H,14,15,17)