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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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