[(1R,4R,6R,7S)-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate

Systemtic Name: [(1R,4R,6R,7S)-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate Openeye Name: [(1R,4R,6R,7S)-6-(4-amino-2-oxo-pyrimidin-1-yl)-7-benzyloxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1R,4R,6R,7S)-6-(4-amino-2-oxo-1-pyrimidinyl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl ester IUPAC Name: [(1R,4R,6R,7S)-6-(4-amino-2-oxopyrimidin-1-yl)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1R,4R,6R,7S)-6-(4-amino-2-keto-pyrimidin-1-yl)-7-benzoxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC12COC(C1OCC3=CC=CC=C3)C(O2)N4C=CC(=NC4=O)N

Isomeric SMILES

CS(=O)(=O)OC[C@]12CO[C@H]([C@@H]1OCC3=CC=CC=C3)[C@@H](O2)N4C=CC(=NC4=O)N

InChI

InChI=1S/C18H21N3O7S/c1-29(23,24)27-11-18-10-26-14(15(18)25-9-12-5-3-2-4-6-12)16(28-18)21-8-7-13(19)20-17(21)22/h2-8,14-16H,9-11H2,1H3,(H2,19,20,22)/t14-,15+,16-,18-/m1/s1