3-[(4-bromophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 3-[(4-bromophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 3-[(4-bromophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 3-[(4-bromophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 3-[(4-bromophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 3-[(4-bromobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H13BrN4 MolecularWeight: 365.22662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4/c19-16-6-4-14(5-7-16)12-23(18-10-21-13-22-11-18)17-3-1-2-15(8-17)9-20/h1-8,10-11,13H,12H2