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

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]nicotinate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-2-4-8-7-10(17)16-13(15-8)20-11-9(12(18)19)5-3-6-14-11/h3,5-7H,2,4H2,1H3,(H,18,19)(H,15,16,17)/p-1