4-[[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-tert-butyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-tert-butyl-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-tert-butyl-2,6-dimethylanilino)-5-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-tert-butyl-2,6-dimethylanilino)-5-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-tert-butyl-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C24H27N5 MolecularWeight: 385.50468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C)C(C)(C)C

InChI

InChI=1S/C24H27N5/c1-15-11-19(24(4,5)6)12-16(2)21(15)28-22-17(3)14-26-23(29-22)27-20-9-7-18(13-25)8-10-20/h7-12,14H,1-6H3,(H2,26,27,28,29)