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

Systemtic Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-methyl-pentanoic acid Openeye Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-methyl-pentanoic acid CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-methylpentanoic acid IUPAC Name: 2-[6-(5-cyano-2-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-4-methylpentanoic acid Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-methyl-valeric acid Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S/c1-10(2)7-14(18(24)25)29-17-15(23(26)27)16(21-19(22-17)30-4)28-13-8-12(9-20)6-5-11(13)3/h5-6,8,10,14H,7H2,1-4H3,(H,24,25)