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

Systemtic Name: 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-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(OC=C2)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(OC=C2)C(=O)O

InChI

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