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

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-nitrooxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-nitrooxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-nitrooxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-nitrooxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-nitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7/c1-10-8-20(17(23)19-15(10)18)14-7-12(28-21(24)25)13(27-14)9-26-16(22)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H2,18,19,23)/t12-,13+,14+/m0/s1