4-[[5-bromanyl-4-chloranyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-4-chloranyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-bromo-4-chloro-6-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-bromo-4-chloro-6-(2,4,6-trimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-bromo-4-chloro-6-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[(5-bromo-4-chloro-6-mesidino-pyrimidin-2-yl)amino]benzonitrile Formula: C20H17BrClN5 MolecularWeight: 442.73948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br)C

InChI

InChI=1S/C20H17BrClN5/c1-11-8-12(2)17(13(3)9-11)25-19-16(21)18(22)26-20(27-19)24-15-6-4-14(10-23)5-7-15/h4-9H,1-3H3,(H2,24,25,26,27)