2-methyl-5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 5-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-methyl-3-furoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=C(O2)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=C(O2)C)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-3-4-9-5-12(17)16-14(15-9)21-7-10-6-11(13(18)19)8(2)20-10/h5-6H,3-4,7H2,1-2H3,(H,18,19)(H,15,16,17)