6-(2-bromophenyl)-2-[(4-methylsulfinylphenyl)amino]pyrido[2,3-d]pyrimidine-7-carboxylic acid

Systemtic Name: 6-(2-bromophenyl)-2-[(4-methylsulfinylphenyl)amino]pyrido[2,3-d]pyrimidine-7-carboxylic acid Openeye Name: 6-(2-bromophenyl)-2-(4-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid CAS Name: 6-(2-bromophenyl)-2-(4-methylsulfinylanilino)-7-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-(2-bromophenyl)-2-(4-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid Traditional Name: 6-(2-bromophenyl)-2-(4-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)NC2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)NC2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C21H15BrN4O3S/c1-30(29)14-8-6-13(7-9-14)24-21-23-11-12-10-16(15-4-2-3-5-17(15)22)18(20(27)28)25-19(12)26-21/h2-11H,1H3,(H,27,28)(H,23,24,25,26)