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

Systemtic Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-methylphenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methylphenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butyric acid Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O6S/c1-10(2)14(19(27)28)21-16-15(25(29)30)17(23-20(22-16)32-6)31-13-8-11(3)7-12(9-13)18(26)24(4)5/h7-10,14H,1-6H3,(H,27,28)(H,21,22,23)