4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanenitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]butanenitrile IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]butyronitrile Formula: C9H11N3OS MolecularWeight: 209.26814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCC#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCC#N

InChI

InChI=1S/C9H11N3OS/c1-7-6-8(13)12-9(11-7)14-5-3-2-4-10/h6H,2-3,5H2,1H3,(H,11,12,13)