2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-pyridinecarboxylate IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]nicotinate Formula: C11H8N3O3S- MolecularWeight: 262.26452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c1-6-5-8(15)14-11(13-6)18-9-7(10(16)17)3-2-4-12-9/h2-5H,1H3,(H,16,17)(H,13,14,15)/p-1