ethyl 2-[(3,5-dimethoxyphenyl)amino]-4-[(2-methylsulfonylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3,5-dimethoxyphenyl)amino]-4-[(2-methylsulfonylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethoxyanilino)-4-(2-mesylanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2S(=O)(=O)C)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2S(=O)(=O)C)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H24N4O6S/c1-5-32-21(27)17-13-23-22(24-14-10-15(30-2)12-16(11-14)31-3)26-20(17)25-18-8-6-7-9-19(18)33(4,28)29/h6-13H,5H2,1-4H3,(H2,23,24,25,26)