2-chloranyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]isonicotinic acid Formula: C11H8ClN3O3S MolecularWeight: 297.71752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=NC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=NC(=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C11H8ClN3O3S/c1-5-2-8(16)15-11(13-5)19-9-4-6(10(17)18)3-7(12)14-9/h2-4H,1H3,(H,17,18)(H,13,15,16)