4-methyl-6-(1,2-oxazol-5-ylmethylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-(1,2-oxazol-5-ylmethylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-(isoxazol-5-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(5-isoxazolylmethylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(1,2-oxazol-5-ylmethylsulfanyl)-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-(isoxazol-5-ylmethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=NO2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=NO2)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-7(2)11-15-8(3)10(13(17)18)12(16-11)20-6-9-4-5-14-19-9/h4-5,7H,6H2,1-3H3,(H,17,18)