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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methylthio]nicotinic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-15-8(6-10(17)16(2)13(15)20)7-21-11-9(12(18)19)4-3-5-14-11/h3-6H,7H2,1-2H3,(H,18,19)