4-[[4-[(4-bromanyl-2-ethyl-6-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-bromanyl-2-ethyl-6-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2-ethyl-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-bromo-2-ethyl-6-methylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-ethyl-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C20H18BrN5 MolecularWeight: 408.29442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)Br)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(C(=CC(=C1)Br)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18BrN5/c1-3-15-11-16(21)10-13(2)19(15)25-18-8-9-23-20(26-18)24-17-6-4-14(12-22)5-7-17/h4-11H,3H2,1-2H3,(H2,23,24,25,26)