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

Systemtic Name: 2-chloranyl-6-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]isonicotinic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=NC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=NC(=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O3S/c1-2-3-8-6-10(18)17-13(15-8)21-11-5-7(12(19)20)4-9(14)16-11/h4-6H,2-3H2,1H3,(H,19,20)(H,15,17,18)