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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=O)NC2=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=O)NC2=O)C#N

InChI

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