3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propanenitrile

Systemtic Name: 3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propanenitrile Openeye Name: 3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propanenitrile CAS Name: 3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propanenitrile IUPAC Name: 3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propanenitrile Traditional Name: 3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propionitrile Formula: C13H12N4O MolecularWeight: 240.26058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCC#N

InChI

InChI=1S/C13H12N4O/c14-8-4-7-10-11(9-5-2-1-3-6-9)16-13(15)17-12(10)18/h1-3,5-6H,4,7H2,(H3,15,16,17,18)