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

Systemtic Name: 4-[[5-bromanyl-2-[(2,4,6-trimethylphenyl)amino]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]benzonitrile CAS Name: 4-[[5-bromo-2-(2,4,6-trimethylanilino)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-bromo-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4-[(5-bromo-2-mesidino-pyrimidin-4-yl)amino]benzonitrile Formula: C20H18BrN5 MolecularWeight: 408.29442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5/c1-12-8-13(2)18(14(3)9-12)25-20-23-11-17(21)19(26-20)24-16-6-4-15(10-22)5-7-16/h4-9,11H,1-3H3,(H2,23,24,25,26)