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

Systemtic Name: 6-(2-bromophenyl)-2-[(3-methylsulfinylphenyl)amino]pyrido[2,3-d]pyrimidine-7-carbonitrile Openeye Name: 6-(2-bromophenyl)-2-(3-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carbonitrile CAS Name: 6-(2-bromophenyl)-2-(3-methylsulfinylanilino)-7-pyrido[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-(2-bromophenyl)-2-(3-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carbonitrile Traditional Name: 6-(2-bromophenyl)-2-(3-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carbonitrile Formula: C21H14BrN5OS MolecularWeight: 464.33776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN5OS/c1-29(28)15-6-4-5-14(10-15)25-21-24-12-13-9-17(16-7-2-3-8-18(16)22)19(11-23)26-20(13)27-21/h2-10,12H,1H3,(H,24,25,26,27)