4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[[3,5-bis(1-cyano-1-methyl-ethyl)phenyl]methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[[3,5-bis(1-cyano-1-methyl-ethyl)benzyl]-(5-pyrimidyl)amino]benzonitrile Formula: C26H24N6 MolecularWeight: 420.50896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6/c1-25(2,16-28)21-9-20(10-22(11-21)26(3,4)17-29)15-32(24-13-30-18-31-14-24)23-7-5-19(12-27)6-8-23/h5-11,13-14,18H,15H2,1-4H3