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

Systemtic Name: 4-[(4-iodophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-iodophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(4-iodophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-iodophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(4-iodobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H13IN4 MolecularWeight: 412.22709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=CN=CN=C3)I

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=CN=CN=C3)I

InChI

InChI=1S/C18H13IN4/c19-16-5-1-15(2-6-16)12-23(18-10-21-13-22-11-18)17-7-3-14(9-20)4-8-17/h1-8,10-11,13H,12H2