2-ethyl-4-methyl-6-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[(3-methylisoxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(3-methyl-5-isoxazolyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-methyl-6-[(3-methylisoxazol-5-yl)methylthio]pyrimidine-5-carboxylic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC(=NO2)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC(=NO2)C)C(=O)O)C

InChI

InChI=1S/C13H15N3O3S/c1-4-10-14-8(3)11(13(17)18)12(15-10)20-6-9-5-7(2)16-19-9/h5H,4,6H2,1-3H3,(H,17,18)