[(2S,3S,5R)-3-azido-5-(2-oxidanylidene-5-phenyl-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,5R)-3-azido-5-(2-oxidanylidene-5-phenyl-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5R)-3-azido-5-(2-oxo-5-phenyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5R)-3-azido-5-(2-oxo-5-phenyl-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-azido-5-(2-oxo-5-phenylpyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5R)-3-azido-5-(2-keto-5-phenyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C=NC2=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C=NC2=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C22H19N5O4/c23-26-25-18-11-20(31-19(18)14-30-21(28)16-9-5-2-6-10-16)27-13-17(12-24-22(27)29)15-7-3-1-4-8-15/h1-10,12-13,18-20H,11,14H2/t18-,19+,20+/m0/s1