5-cyano-6-methyl-4-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-6-methyl-4-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-4-[5-(4-methylsulfonylphenyl)oxazol-4-yl]-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-4-[5-(4-methylsulfonylphenyl)-4-oxazolyl]-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-4-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-4-[5-(4-mesylphenyl)oxazol-4-yl]-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(OC=N2)C3=CC=C(C=C3)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(OC=N2)C3=CC=C(C=C3)S(=O)(=O)C)C#N

InChI

InChI=1S/C17H14N4O6S/c1-9-12(7-18)14(21(17(23)24)16(22)20-9)13-15(27-8-19-13)10-3-5-11(6-4-10)28(2,25)26/h3-6,8,14H,1-2H3,(H,20,22)(H,23,24)