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

Systemtic Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]-5-methylphenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[3-(dimethylcarbamoyl)-5-methylphenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[3-(dimethylcarbamoyl)-5-methyl-phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C19H23N5O6S MolecularWeight: 449.48082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)SC)OC2=CC(=CC(=C2)C)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O6S/c1-6-29-14(25)10-20-16-15(24(27)28)17(22-19(21-16)31-5)30-13-8-11(2)7-12(9-13)18(26)23(3)4/h7-9H,6,10H2,1-5H3,(H,20,21,22)