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

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-furoate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-7-5-8(2)14-12(13-7)18-6-9-3-4-10(17-9)11(15)16/h3-5H,6H2,1-2H3,(H,15,16)/p-1