4-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[4-ethoxy-N-(p-tolylsulfonyl)anilino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-6-methyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-ethoxy-N-tosyl-anilino)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2=NC(=NC(=C2C(=O)O)C)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2=NC(=NC(=C2C(=O)O)C)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O5S/c1-4-35-22-14-12-21(13-15-22)30(36(33,34)23-16-10-18(2)11-17-23)26-24(27(31)32)19(3)28-25(29-26)20-8-6-5-7-9-20/h5-17H,4H2,1-3H3,(H,31,32)