2-azanyl-3-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(4-tert-butyl-2,6-dimethyl-anilino)pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-(4-tert-butyl-2,6-dimethylanilino)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(4-tert-butyl-2,6-dimethylanilino)pyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(4-tert-butyl-2,6-dimethyl-anilino)pyrimidin-2-yl]benzonitrile Formula: C23H25N5 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)C)C(C)(C)C

InChI

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