4-[[4-[(2,6-dimethylphenyl)methyl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2,6-dimethylphenyl)methyl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[(2,6-dimethylphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(2,6-dimethylphenyl)methyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(2,6-dimethylphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,6-dimethylbenzyl)pyrimidin-2-yl]amino]benzonitrile Formula: C20H18N4 MolecularWeight: 314.38372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)CC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4/c1-14-4-3-5-15(2)19(14)12-18-10-11-22-20(24-18)23-17-8-6-16(13-21)7-9-17/h3-11H,12H2,1-2H3,(H,22,23,24)