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

Systemtic Name: 2-[[6-[3-(dimethylcarbamoyl)-5-(trifluoromethyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-[3-(dimethylcarbamoyl)-5-(trifluoromethyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-(trifluoromethyl)phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-[3-(dimethylcarbamoyl)-5-(trifluoromethyl)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-[3-(dimethylcarbamoyl)-5-(trifluoromethyl)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C21H24F3N5O6S MolecularWeight: 531.50537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C(F)(F)F)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C(F)(F)F)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24F3N5O6S/c1-10(2)6-14(19(31)32)25-16-15(29(33)34)17(27-20(26-16)36-5)35-13-8-11(18(30)28(3)4)7-12(9-13)21(22,23)24/h7-10,14H,6H2,1-5H3,(H,31,32)(H,25,26,27)