ethyl 4-[[4-[4-(dimethylamino)-3-nitro-phenyl]carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-[4-(dimethylamino)-3-nitro-phenyl]carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[4-(dimethylamino)-3-nitro-benzoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(dimethylamino)-3-nitrobenzoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-[4-(dimethylamino)-3-nitro-benzoyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N5O6S MolecularWeight: 497.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])SC

InChI

InChI=1S/C23H23N5O6S/c1-5-33-22(30)17-13-24-23(35-4)26-20(17)25-15-7-9-16(10-8-15)34-21(29)14-6-11-18(27(2)3)19(12-14)28(31)32/h6-13H,5H2,1-4H3,(H,24,25,26)