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

Systemtic Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C18H20N6O5S MolecularWeight: 432.4536

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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)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O5S/c1-5-28-14(25)10-20-16-15(24(26)27)17(22-18(21-16)30-4)29-12-7-6-11(9-19)13(8-12)23(2)3/h6-8H,5,10H2,1-4H3,(H,20,21,22)