4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-[2-(2,5-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O2/c1-26-18-7-8-20(27-2)17(13-18)9-11-23-21-24-12-10-19(25-21)16-5-3-15(14-22)4-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,24,25)