3-(dimethylcarbamoyl)-5-[2-methylsulfanyl-5-nitro-6-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]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)amino]pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 3-[6-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-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)amino]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 3-(dimethylcarbamoyl)-5-[6-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 3-[6-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-(dimethylcarbamoyl)benzoic acid Formula: C24H23N5O8S MolecularWeight: 541.53312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC3=CC=CC=C3)C(=O)O)SC)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC3=CC=CC=C3)C(=O)O)SC)C(=O)O

InChI

InChI=1S/C24H23N5O8S/c1-28(2)21(30)14-10-15(22(31)32)12-16(11-14)37-20-18(29(35)36)19(26-24(27-20)38-3)25-17(23(33)34)9-13-7-5-4-6-8-13/h4-8,10-12,17H,9H2,1-3H3,(H,31,32)(H,33,34)(H,25,26,27)