[(2R,3R,4S,5R)-5-(4-acetamido-2-oxidanylidene-5-phenyl-pyrimidin-1-yl)-4-acetyloxy-3-bromanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R)-5-(4-acetamido-2-oxidanylidene-5-phenyl-pyrimidin-1-yl)-4-acetyloxy-3-bromanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R)-5-(4-acetamido-2-oxo-5-phenyl-pyrimidin-1-yl)-4-acetoxy-3-bromo-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R)-5-(4-acetamido-2-oxo-5-phenyl-1-pyrimidinyl)-4-acetyloxy-3-bromo-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-5-(4-acetamido-2-oxo-5-phenylpyrimidin-1-yl)-4-acetyloxy-3-bromooxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-5-(4-acetamido-2-keto-5-phenyl-pyrimidin-1-yl)-4-acetoxy-3-bromo-tetrahydrofuran-2-yl]methyl ester Formula: C21H22BrN3O7 MolecularWeight: 508.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1C2=CC=CC=C2)C3C(C(C(O3)COC(=O)C)Br)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)Br)OC(=O)C

InChI

InChI=1S/C21H22BrN3O7/c1-11(26)23-19-15(14-7-5-4-6-8-14)9-25(21(29)24-19)20-18(31-13(3)28)17(22)16(32-20)10-30-12(2)27/h4-9,16-18,20H,10H2,1-3H3,(H,23,24,26,29)/t16-,17-,18-,20-/m1/s1