2-[4-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(6-keto-1H-pyrimidin-2-yl)amino]phenyl]acetonitrile Formula: C12H10N4O MolecularWeight: 226.234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC2=NC=CC(=O)N2

InChI

InChI=1S/C12H10N4O/c13-7-5-9-1-3-10(4-2-9)15-12-14-8-6-11(17)16-12/h1-4,6,8H,5H2,(H2,14,15,16,17)