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

Systemtic Name: 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile Openeye Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile CAS Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]pentanenitrile IUPAC Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]valeronitrile Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-3-5-9-8-11(16)15-12(14-9)17-10(4-2)6-7-13/h8,10H,3-6H2,1-2H3,(H,14,15,16)