ethyl 2-methylsulfanyl-4-[[3-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyloxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(3-nitro-4-pyrrolidin-1-yl-benzoyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(3-nitro-4-pyrrolidin-1-ylbenzoyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(3-nitro-4-pyrrolidino-benzoyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N5O6S MolecularWeight: 523.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])SC

InChI

InChI=1S/C25H25N5O6S/c1-3-35-24(32)19-15-26-25(37-2)28-22(19)27-17-7-6-8-18(14-17)36-23(31)16-9-10-20(21(13-16)30(33)34)29-11-4-5-12-29/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,26,27,28)