2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,4-diketo-1H-pyrimidin-6-yl)methylthio]nicotinic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=O)NC(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=O)NC(=O)N2)C(=O)O

InChI

InChI=1S/C11H9N3O4S/c15-8-4-6(13-11(18)14-8)5-19-9-7(10(16)17)2-1-3-12-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)