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

Systemtic Name: 6-methyl-4-(1,2-oxazol-5-ylmethylsulfanyl)-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(isoxazol-5-ylmethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(5-isoxazolylmethylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(1,2-oxazol-5-ylmethylsulfanyl)-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(isoxazol-5-ylmethylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O4S/c1-5-7(9(14)15)8(13-10(16)12-5)18-4-6-2-3-11-17-6/h2-3H,4H2,1H3,(H,14,15)(H,12,13,16)