4-[[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzonitrile CAS Name: 4-[(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzonitrile IUPAC Name: 4-[(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 4-[(2,4-diketo-5-methyl-1H-pyrimidin-3-yl)methyl]benzonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)N(C1=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CNC(=O)N(C1=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O2/c1-9-7-15-13(18)16(12(9)17)8-11-4-2-10(6-14)3-5-11/h2-5,7H,8H2,1H3,(H,15,18)