4-[(2-fluorophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(2-fluorophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(2-fluorophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(2-fluorophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(2-fluorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(2-fluorobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H13FN4 MolecularWeight: 304.321023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN4/c19-18-4-2-1-3-15(18)12-23(17-10-21-13-22-11-17)16-7-5-14(9-20)6-8-16/h1-8,10-11,13H,12H2