[(2S,4R)-4-(4-benzamido-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4R)-4-(4-benzamido-5-bromanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2S,4R)-4-(4-benzamido-5-bromo-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4R)-4-(4-benzamido-5-bromo-2-oxo-1-pyrimidinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S,4R)-4-(4-benzamido-5-bromo-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4R)-4-(4-benzamido-5-bromo-2-keto-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C22H18BrN3O6 MolecularWeight: 500.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=C(C(=NC3=O)NC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C1[C@@H](O[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=C(C(=NC3=O)NC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H18BrN3O6/c23-16-11-26(22(29)25-19(16)24-20(27)14-7-3-1-4-8-14)17-12-30-18(32-17)13-31-21(28)15-9-5-2-6-10-15/h1-11,17-18H,12-13H2,(H,24,25,27,29)/t17-,18+/m1/s1