5-chloranyl-6-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]nicotinic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(=O)O)Cl

InChI

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