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

Systemtic Name: 4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(6-chloro-3-pyridyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(6-chloro-3-pyridinyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(6-chloropyridin-3-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(6-chloro-3-pyridyl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CN=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CN=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H10ClN3O3S/c1-6-9(11(17)18)10(16-12(19)15-6)20-5-7-2-3-8(13)14-4-7/h2-4H,5H2,1H3,(H,17,18)(H,15,16,19)