4-[(3-bromanyl-4-fluoranyl-phenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(3-bromanyl-4-fluoranyl-phenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(3-bromo-4-fluoro-phenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(3-bromo-4-fluorophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3-bromo-4-fluorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(3-bromo-4-fluoro-benzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H12BrFN4 MolecularWeight: 383.217083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)F)Br)C3=CN=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)F)Br)C3=CN=CN=C3

InChI

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