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

Systemtic Name: 2-methyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile Openeye Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile CAS Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanenitrile IUPAC Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-2-methyl-propionitrile Formula: C11H15N3OS MolecularWeight: 237.3213

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(C)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(C)C#N

InChI

InChI=1S/C11H15N3OS/c1-3-4-9-5-10(15)14-11(13-9)16-7-8(2)6-12/h5,8H,3-4,7H2,1-2H3,(H,13,14,15)