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

Systemtic Name: 3-[[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(5-bromo-2,4-dioxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 3-[(5-bromo-2,4-dioxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 3-[(5-bromo-2,4-diketo-pyrimidin-1-yl)methyl]benzonitrile Formula: C12H8BrN3O2 MolecularWeight: 306.11482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=O)NC2=O)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=O)NC2=O)Br)C#N

InChI

InChI=1S/C12H8BrN3O2/c13-10-7-16(12(18)15-11(10)17)6-9-3-1-2-8(4-9)5-14/h1-4,7H,6H2,(H,15,17,18)