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

Systemtic Name: 4-[[5-ethenyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,4,6-trimethylanilino)-5-vinyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-ethenyl-4-(2,4,6-trimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-ethenyl-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[(4-mesidino-5-vinyl-pyrimidin-2-yl)amino]benzonitrile Formula: C22H21N5 MolecularWeight: 355.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2C=C)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2C=C)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H21N5/c1-5-18-13-24-22(25-19-8-6-17(12-23)7-9-19)27-21(18)26-20-15(3)10-14(2)11-16(20)4/h5-11,13H,1H2,2-4H3,(H2,24,25,26,27)