[(1S,4S,6R,7R)-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate

Systemtic Name: [(1S,4S,6R,7R)-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate Openeye Name: [(1S,4S,6R,7R)-7-benzyloxy-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(2,2,2-trifluoroacetyl)-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1S,4S,6R,7R)-6-(5-methyl-2,4-dioxo-1-pyrimidinyl)-7-phenylmethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl ester IUPAC Name: [(1S,4S,6R,7R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-7-phenylmethoxy-2-(2,2,2-trifluoroacetyl)-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1S,4S,6R,7R)-7-benzoxy-6-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(2,2,2-trifluoroacetyl)-5-oxa-2-azabicyclo[2.2.1]heptan-4-yl]methyl ester Formula: C21H22F3N3O8S MolecularWeight: 533.47489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=O)C(F)(F)F)COS(=O)(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CN3C(=O)C(F)(F)F)COS(=O)(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22F3N3O8S/c1-12-8-26(19(30)25-16(12)28)17-14-15(33-9-13-6-4-3-5-7-13)20(35-17,11-34-36(2,31)32)10-27(14)18(29)21(22,23)24/h3-8,14-15,17H,9-11H2,1-2H3,(H,25,28,30)/t14-,15+,17+,20-/m0/s1