3-(dimethylcarbamoyl)-5-[2-methylsulfanyl-5-nitro-6-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxy-pyrimidin-4-yl]oxy-benzoic acid

Systemtic Name: 3-(dimethylcarbamoyl)-5-[2-methylsulfanyl-5-nitro-6-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxy-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 3-[6-(1-benzyl-2-hydroxy-2-oxo-ethoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-(dimethylcarbamoyl)benzoic acid CAS Name: 3-[dimethylamino(oxo)methyl]-5-[[6-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxy-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 3-(dimethylcarbamoyl)-5-[6-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxy-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 3-[6-(1-benzyl-2-hydroxy-2-keto-ethoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-(dimethylcarbamoyl)benzoic acid Formula: C24H22N4O9S MolecularWeight: 542.51788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H22N4O9S/c1-27(2)21(29)14-10-15(22(30)31)12-16(11-14)36-19-18(28(34)35)20(26-24(25-19)38-3)37-17(23(32)33)9-13-7-5-4-6-8-13/h4-8,10-12,17H,9H2,1-3H3,(H,30,31)(H,32,33)