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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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