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

Systemtic Name: 6-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]nicotinic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c1-2-3-9-6-10(17)16-13(15-9)20-11-5-4-8(7-14-11)12(18)19/h4-7H,2-3H2,1H3,(H,18,19)(H,15,16,17)