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

Systemtic Name: 2-[[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[6-(4-cyano-3-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[6-(4-cyano-3-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[6-(4-cyano-3-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-3-methylpentanoic acid Traditional Name: 2-[[6-(4-cyano-3-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-valeric acid Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5S/c1-5-10(2)14(18(25)26)21-16-15(24(27)28)17(23-19(22-16)30-4)29-13-7-6-12(9-20)11(3)8-13/h6-8,10,14H,5H2,1-4H3,(H,25,26)(H,21,22,23)