4-[(4-bromanyl-3-fluoranyl-phenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(4-bromanyl-3-fluoranyl-phenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-bromo-3-fluoro-phenyl)methyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[(4-bromo-3-fluorophenyl)methyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-bromo-3-fluorophenyl)methyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[(4-bromo-3-fluoro-benzyl)-(2-pyrimidyl)amino]benzonitrile Formula: C18H12BrFN4 MolecularWeight: 383.217083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrFN4/c19-16-7-4-14(10-17(16)20)12-24(18-22-8-1-9-23-18)15-5-2-13(11-21)3-6-15/h1-10H,12H2