2-[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-methylphenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[6-[3-(dimethylcarbamoyl)-5-methylphenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butyric acid Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C)OC2=C(C(=NC(=N2)SC)OC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C)OC2=C(C(=NC(=N2)SC)OC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S/c1-10(2)15(19(26)27)31-17-14(24(28)29)16(21-20(22-17)32-6)30-13-8-11(3)7-12(9-13)18(25)23(4)5/h7-10,15H,1-6H3,(H,26,27)