4-[[(4-cyanophenyl)-pyrimidin-5-yl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-cyanophenyl)-pyrimidin-5-yl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[(4-cyano-N-pyrimidin-5-yl-anilino)methyl]benzonitrile CAS Name: 4-[[4-cyano-N-(5-pyrimidinyl)anilino]methyl]benzonitrile IUPAC Name: 4-[(4-cyano-N-pyrimidin-5-ylanilino)methyl]benzonitrile Traditional Name: 4-[[4-cyano-N-(5-pyrimidyl)anilino]methyl]benzonitrile Formula: C19H13N5 MolecularWeight: 311.34002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=CN=CN=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=CN=CN=C3)C#N

InChI

InChI=1S/C19H13N5/c20-9-15-1-3-17(4-2-15)13-24(19-11-22-14-23-12-19)18-7-5-16(10-21)6-8-18/h1-8,11-12,14H,13H2