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

Systemtic Name: ethyl 2-[[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-carbamoyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-carbamoyl-4-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C17H16N6O6S MolecularWeight: 432.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O6S/c1-3-28-12(24)8-20-15-13(23(26)27)16(22-17(21-15)30-2)29-10-5-4-9(7-18)11(6-10)14(19)25/h4-6H,3,8H2,1-2H3,(H2,19,25)(H,20,21,22)