4-[[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-tert-butyl-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-tert-butyl-2,6-dimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-tert-butyl-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-tert-butyl-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C23H25N5 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C(C)(C)C

InChI

InChI=1S/C23H25N5/c1-15-12-18(23(3,4)5)13-16(2)21(15)27-20-10-11-25-22(28-20)26-19-8-6-17(14-24)7-9-19/h6-13H,1-5H3,(H2,25,26,27,28)