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

Systemtic Name: 4-[(4-hydroxyphenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-hydroxyphenyl)methyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[(4-hydroxyphenyl)methyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-hydroxyphenyl)methyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[(4-hydroxybenzyl)-(2-pyrimidyl)amino]benzonitrile Formula: C18H14N4O MolecularWeight: 302.32996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O/c19-12-14-2-6-16(7-3-14)22(18-20-10-1-11-21-18)13-15-4-8-17(23)9-5-15/h1-11,23H,13H2