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

Systemtic Name: 6-(2-bromophenyl)-2-[(3-methylsulfanylphenyl)amino]pyrido[2,3-d]pyrimidine-7-carboxylic acid Openeye Name: 6-(2-bromophenyl)-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid CAS Name: 6-(2-bromophenyl)-2-[3-(methylthio)anilino]-7-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-(2-bromophenyl)-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid Traditional Name: 6-(2-bromophenyl)-2-[3-(methylthio)anilino]pyrido[2,3-d]pyrimidine-7-carboxylic acid Formula: C21H15BrN4O2S MolecularWeight: 467.3384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C21H15BrN4O2S/c1-29-14-6-4-5-13(10-14)24-21-23-11-12-9-16(15-7-2-3-8-17(15)22)18(20(27)28)25-19(12)26-21/h2-11H,1H3,(H,27,28)(H,23,24,25,26)