2-[(3,5-dimethoxyphenyl)amino]-4-[(2-methylsulfonylphenyl)amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3,5-dimethoxyphenyl)amino]-4-[(2-methylsulfonylphenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-dimethoxyanilino)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-dimethoxyanilino)-4-(2-mesylanilino)pyrimidine-5-carboxylic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)C)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)C)C(=O)O)OC

InChI

InChI=1S/C20H20N4O6S/c1-29-13-8-12(9-14(10-13)30-2)22-20-21-11-15(19(25)26)18(24-20)23-16-6-4-5-7-17(16)31(3,27)28/h4-11H,1-3H3,(H,25,26)(H2,21,22,23,24)