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

Systemtic Name: 6-(2-bromophenyl)-2-[(3-methylsulfanylphenyl)amino]pyrido[2,3-d]pyrimidine-7-carboxamide Openeye Name: 6-(2-bromophenyl)-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide CAS Name: 6-(2-bromophenyl)-2-[3-(methylthio)anilino]-7-pyrido[2,3-d]pyrimidinecarboxamide IUPAC Name: 6-(2-bromophenyl)-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide Traditional Name: 6-(2-bromophenyl)-2-[3-(methylthio)anilino]pyrido[2,3-d]pyrimidine-7-carboxamide Formula: C21H16BrN5OS MolecularWeight: 466.35364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5OS/c1-29-14-6-4-5-13(10-14)25-21-24-11-12-9-16(15-7-2-3-8-17(15)22)18(19(23)28)26-20(12)27-21/h2-11H,1H3,(H2,23,28)(H,24,25,26,27)