[5-(6-acetamido-1-bromanyl-2-oxidanylidene-4H-pyrimidin-3-yl)-4-acetyloxy-oxolan-2-yl]methyl 2-acetyloxybenzoate

Systemtic Name: [5-(6-acetamido-1-bromanyl-2-oxidanylidene-4H-pyrimidin-3-yl)-4-acetyloxy-oxolan-2-yl]methyl 2-acetyloxybenzoate Openeye Name: [5-(6-acetamido-1-bromo-2-oxo-4H-pyrimidin-3-yl)-4-acetoxy-tetrahydrofuran-2-yl]methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [5-(6-acetamido-1-bromo-2-oxo-4H-pyrimidin-3-yl)-4-acetyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-acetamido-1-bromo-2-oxo-4H-pyrimidin-3-yl)-4-acetyloxyoxolan-2-yl]methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [5-(6-acetamido-1-bromo-2-keto-4H-pyrimidin-3-yl)-4-acetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H24BrN3O9 MolecularWeight: 554.34466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CCN(C(=O)N1Br)C2C(CC(O2)COC(=O)C3=CC=CC=C3OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CCN(C(=O)N1Br)C2C(CC(O2)COC(=O)C3=CC=CC=C3OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H24BrN3O9/c1-12(27)24-19-8-9-25(22(31)26(19)23)20-18(34-14(3)29)10-15(35-20)11-32-21(30)16-6-4-5-7-17(16)33-13(2)28/h4-8,15,18,20H,9-11H2,1-3H3,(H,24,27)