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

Systemtic Name: 4-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(2,4-dioxopyrimidin-1-yl)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(2,4-dioxo-1-pyrimidinyl)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(2,4-dioxopyrimidin-1-yl)methyl]-3-fluorobenzonitrile Traditional Name: 4-[(2,4-diketopyrimidin-1-yl)methyl]-3-fluoro-benzonitrile Formula: C12H8FN3O2 MolecularWeight: 245.209223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CN2C=CC(=O)NC2=O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CN2C=CC(=O)NC2=O

InChI

InChI=1S/C12H8FN3O2/c13-10-5-8(6-14)1-2-9(10)7-16-4-3-11(17)15-12(16)18/h1-5H,7H2,(H,15,17,18)