[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2,4-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2,4-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2,4-difluorobenzoate CAS Name: 2,4-difluorobenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2,4-difluorobenzoate Traditional Name: 2,4-difluorobenzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C13H9F2N3O3 MolecularWeight: 293.225666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H9F2N3O3/c14-8-2-3-9(10(15)6-8)12(20)21-7-11(19)18-13-16-4-1-5-17-13/h1-6H,7H2,(H,16,17,18,19)