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

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-nitrooxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-nitrooxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-nitrooxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-nitrooxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-nitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7/c17-13-6-7-19(16(22)18-13)14-8-11(27-20(23)24)12(26-14)9-25-15(21)10-4-2-1-3-5-10/h1-7,11-12,14H,8-9H2,(H2,17,18,22)/t11-,12+,14+/m0/s1