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

Systemtic Name: 2-[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid Openeye Name: 2-[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid CAS Name: 2-[[6-(4-cyano-3-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-3-methylpentanoic acid IUPAC Name: 2-[6-(4-cyano-3-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-3-methylpentanoic acid Traditional Name: 2-[6-(4-cyano-3-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-valeric acid Formula: C19H20N4O6S MolecularWeight: 432.4503

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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(=C(C=C2)C#N)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S/c1-5-10(2)15(18(24)25)29-17-14(23(26)27)16(21-19(22-17)30-4)28-13-7-6-12(9-20)11(3)8-13/h6-8,10,15H,5H2,1-4H3,(H,24,25)