4-[[4-methyl-6-[3-(4-phenylmethoxyphenoxy)phenyl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-methyl-6-[3-(4-phenylmethoxyphenoxy)phenyl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-benzyloxyphenoxy)phenyl]-6-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-methyl-6-[3-(4-phenylmethoxyphenoxy)phenyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-methyl-6-[3-(4-phenylmethoxyphenoxy)phenyl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(4-benzoxyphenoxy)phenyl]-6-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C31H24N4O2 MolecularWeight: 484.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC(=CC=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC(=CC=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H24N4O2/c1-22-18-30(35-31(33-22)34-26-12-10-23(20-32)11-13-26)25-8-5-9-29(19-25)37-28-16-14-27(15-17-28)36-21-24-6-3-2-4-7-24/h2-19H,21H2,1H3,(H,33,34,35)