5-[(6-methylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(6-methylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(6-methylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-methyl-4-pyrimidinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(6-methylpyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-methylpyrimidin-4-yl)thio]methyl]-2-furoate Formula: C11H9N2O3S- MolecularWeight: 249.26576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C11H10N2O3S/c1-7-4-10(13-6-12-7)17-5-8-2-3-9(16-8)11(14)15/h2-4,6H,5H2,1H3,(H,14,15)/p-1