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

Systemtic Name: ethyl 2-[[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-bromo-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-bromo-5-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-bromo-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C16H14BrN5O5S MolecularWeight: 468.28186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O5S/c1-3-26-12(23)8-19-14-13(22(24)25)15(21-16(20-14)28-2)27-11-5-9(7-18)4-10(17)6-11/h4-6H,3,8H2,1-2H3,(H,19,20,21)