4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzonitrile IUPAC Name: 4-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzonitrile Traditional Name: 4-[(2,4-diketo-1H-pyrimidin-5-yl)methyl]benzonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC(=O)NC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC(=O)NC2=O)C#N

InChI

InChI=1S/C12H9N3O2/c13-6-9-3-1-8(2-4-9)5-10-7-14-12(17)15-11(10)16/h1-4,7H,5H2,(H2,14,15,16,17)