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

Systemtic Name: 2-cyclopropyl-4-methyl-6-(1,2-oxazol-5-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-(isoxazol-5-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-(5-isoxazolylmethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-(1,2-oxazol-5-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-(isoxazol-5-ylmethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=NO3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=NO3)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-7-10(13(17)18)12(16-11(15-7)8-2-3-8)20-6-9-4-5-14-19-9/h4-5,8H,2-3,6H2,1H3,(H,17,18)