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

Systemtic Name: 5-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-butyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-butyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-furoate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)SCC2=CC=C(O2)C(=O)[O-]

InChI

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