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

Systemtic Name: 5-[(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(6-isopropyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-7(2)9-5-11(16)15-13(14-9)20-6-8-3-4-10(19-8)12(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,16)