2-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-(2-furylmethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-(2-furanylmethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-(2-furfurylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=CO2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=CO2)C(=O)O)C

InChI

InChI=1S/C13H14N2O3S/c1-3-10-14-8(2)11(13(16)17)12(15-10)19-7-9-5-4-6-18-9/h4-6H,3,7H2,1-2H3,(H,16,17)