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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(4-morpholin-4-yl-3-nitro-phenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(4-morpholino-3-nitro-benzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(4-morpholin-4-yl-3-nitrobenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(4-morpholino-3-nitro-benzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N5O7S MolecularWeight: 539.5603

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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)N4CCOCC4)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])SC

InChI

InChI=1S/C25H25N5O7S/c1-3-36-24(32)19-15-26-25(38-2)28-22(19)27-17-5-7-18(8-6-17)37-23(31)16-4-9-20(21(14-16)30(33)34)29-10-12-35-13-11-29/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,27,28)