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

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(3,4-dichlorophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(3,4-dichlorophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3,4-dichlorophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(3,4-dichlorobenzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H12Cl2N4 MolecularWeight: 355.22068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N4/c19-17-6-3-14(7-18(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