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

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-furoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CO2)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-2-3-8-6-11(16)15-13(14-8)20-7-10-9(12(17)18)4-5-19-10/h4-6H,2-3,7H2,1H3,(H,17,18)(H,14,15,16)