4-[[4-[(2,4,6-triethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2,4,6-triethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,4,6-triethylanilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(2,4,6-triethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,4,6-triethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,4,6-triethylanilino)pyrimidin-2-yl]amino]benzonitrile Formula: C23H25N5 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CC

InChI

InChI=1S/C23H25N5/c1-4-16-13-18(5-2)22(19(6-3)14-16)27-21-11-12-25-23(28-21)26-20-9-7-17(15-24)8-10-20/h7-14H,4-6H2,1-3H3,(H2,25,26,27,28)