[(2S,3S,4R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-4-fluoranyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-4-fluoranyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R,5S)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-benzoyloxy-4-fluoro-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R,5S)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3-benzoyloxy-4-fluoro-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R,5S)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-3-benzoyloxy-4-fluoro-tetrahydrofuran-2-yl]methyl ester Formula: C23H19F2N3O6 MolecularWeight: 471.410266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=C(C(=NC3=O)N)F)F)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@H](O2)N3C=C(C(=NC3=O)N)F)F)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19F2N3O6/c24-15-11-28(23(31)27-19(15)26)20-17(25)18(34-22(30)14-9-5-2-6-10-14)16(33-20)12-32-21(29)13-7-3-1-4-8-13/h1-11,16-18,20H,12H2,(H2,26,27,31)/t16-,17+,18-,20-/m0/s1