2-[5-cyano-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-cyano-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-cyano-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-cyano-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-cyano-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-cyano-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]acetic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)O)C#N

InChI

InChI=1S/C12H9N3O3S/c1-7-8(5-13)12(19-6-10(16)17)15-11(14-7)9-3-2-4-18-9/h2-4H,6H2,1H3,(H,16,17)