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

Systemtic Name: 4-[[5-phenyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-phenyl-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-phenyl-4-(2,4,6-trimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-phenyl-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[(4-mesidino-5-phenyl-pyrimidin-2-yl)amino]benzonitrile Formula: C26H23N5 MolecularWeight: 405.49432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2C3=CC=CC=C3)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2C3=CC=CC=C3)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H23N5/c1-17-13-18(2)24(19(3)14-17)30-25-23(21-7-5-4-6-8-21)16-28-26(31-25)29-22-11-9-20(15-27)10-12-22/h4-14,16H,1-3H3,(H2,28,29,30,31)