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

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 2-[(3,4-difluorophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 2-[(3,4-difluorophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 2-[(3,4-difluorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 2-[(3,4-difluorobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H12F2N4 MolecularWeight: 322.311486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N(CC2=CC(=C(C=C2)F)F)C3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N(CC2=CC(=C(C=C2)F)F)C3=CN=CN=C3

InChI

InChI=1S/C18H12F2N4/c19-16-6-5-13(7-17(16)20)11-24(15-9-22-12-23-10-15)18-4-2-1-3-14(18)8-21/h1-7,9-10,12H,11H2