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

Systemtic Name: ethyl 4-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[4-(4-methylpiperazin-1-yl)-3-nitro-benzoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[4-(4-methylpiperazino)-3-nitro-benzoyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H28N6O6S MolecularWeight: 552.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])SC

InChI

InChI=1S/C26H28N6O6S/c1-4-37-25(34)20-16-27-26(39-3)29-23(20)28-18-6-5-7-19(15-18)38-24(33)17-8-9-21(22(14-17)32(35)36)31-12-10-30(2)11-13-31/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,28,29)