4,6-dimethyl-2-oxidanylidene-5-[pyrimidin-2-yl(sulfanyl)methyl]-1H-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-oxidanylidene-5-[pyrimidin-2-yl(sulfanyl)methyl]-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-oxo-5-[pyrimidin-2-yl(sulfanyl)methyl]-1H-pyridine-3-carbonitrile CAS Name: 5-[mercapto(2-pyrimidinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-2-oxo-5-[pyrimidin-2-yl(sulfanyl)methyl]-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-5-[mercapto(2-pyrimidyl)methyl]-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1C(C2=NC=CC=N2)S)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1C(C2=NC=CC=N2)S)C)C#N

InChI

InChI=1S/C13H12N4OS/c1-7-9(6-14)13(18)17-8(2)10(7)11(19)12-15-4-3-5-16-12/h3-5,11,19H,1-2H3,(H,17,18)