4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H10ClFN2O3S MolecularWeight: 328.746503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C13H10ClFN2O3S/c1-6-10(12(18)19)11(17-13(20)16-6)21-5-7-8(14)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,18,19)(H,16,17,20)