3-(4-methylpyrimidin-2-yl)sulfanyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(4-methylpyrimidin-2-yl)sulfanyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(4-methyl-2-pyrimidinyl)thio]-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(4-methylpyrimidin-2-yl)thio]-2-[[(4-methylpyrimidin-2-yl)thio]methyl]-2-furoic acid Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2(C(=C(C(=O)O2)O)SC3=NC=CC(=N3)C)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)SCC2(C(=C(C(=O)O2)O)SC3=NC=CC(=N3)C)C(=O)O

InChI

InChI=1S/C16H14N4O5S2/c1-8-3-5-17-14(19-8)26-7-16(13(23)24)11(10(21)12(22)25-16)27-15-18-6-4-9(2)20-15/h3-6,21H,7H2,1-2H3,(H,23,24)