5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C13H13N2O4S- MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

InChI

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