4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-fluorophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(3-fluorobenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H11FN2O3S MolecularWeight: 294.301443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC(=CC=C2)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C13H11FN2O3S/c1-7-10(12(17)18)11(16-13(19)15-7)20-6-8-3-2-4-9(14)5-8/h2-5H,6H2,1H3,(H,17,18)(H,15,16,19)