2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[(5-methyl-2-furyl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(5-methyl-2-furanyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-[(5-methyl-2-furyl)methylthio]pyrimidine-5-carboxylic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=C(O2)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=C(O2)C)C(=O)O)C

InChI

InChI=1S/C14H16N2O3S/c1-4-11-15-9(3)12(14(17)18)13(16-11)20-7-10-6-5-8(2)19-10/h5-6H,4,7H2,1-3H3,(H,17,18)