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

Systemtic Name: 2-[[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-(5-cyano-2-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-(5-cyano-2-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC(C)C)C(=O)O)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NC(CC(C)C)C(=O)O)SC

InChI

InChI=1S/C19H21N5O5S/c1-10(2)7-13(18(25)26)21-16-15(24(27)28)17(23-19(22-16)30-4)29-14-8-12(9-20)6-5-11(14)3/h5-6,8,10,13H,7H2,1-4H3,(H,25,26)(H,21,22,23)