4,4,5,5-tetrakis(fluoranyl)pentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4,4,5,5-tetrakis(fluoranyl)pentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4,4,5,5-tetrafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxo-butanoate CAS Name: 4-[(2,6-dimethoxy-4-pyrimidinyl)amino]-4-oxobutanoic acid 4,4,5,5-tetrafluoropentyl ester IUPAC Name: 4,4,5,5-tetrafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate Traditional Name: 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-keto-butyric acid 4,4,5,5-tetrafluoropentyl ester Formula: C15H19F4N3O5 MolecularWeight: 397.322073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NC(=O)CCC(=O)OCCCC(C(F)F)(F)F)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NC(=O)CCC(=O)OCCCC(C(F)F)(F)F)OC

InChI

InChI=1S/C15H19F4N3O5/c1-25-11-8-9(21-14(22-11)26-2)20-10(23)4-5-12(24)27-7-3-6-15(18,19)13(16)17/h8,13H,3-7H2,1-2H3,(H,20,21,22,23)