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

Systemtic Name: 2-[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid Openeye Name: 2-[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-methoxyphenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-methylpentanoic acid IUPAC Name: 2-[6-[3-(dimethylcarbamoyl)-5-methoxyphenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-methylpentanoic acid Traditional Name: 2-[6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-valeric acid Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)N(C)C)OC)SC

Isomeric SMILES

CCC(C)C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)N(C)C)OC)SC

InChI

InChI=1S/C21H26N4O8S/c1-7-11(2)16(20(27)28)33-18-15(25(29)30)17(22-21(23-18)34-6)32-14-9-12(19(26)24(3)4)8-13(10-14)31-5/h8-11,16H,7H2,1-6H3,(H,27,28)