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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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