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

Systemtic Name: 4-[[4-[(4-bromanyl-2-methyl-phenyl)-methyl-amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-N,2-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-bromo-N,2-dimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-N,2-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-N,2-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C19H16BrN5 MolecularWeight: 394.26784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5/c1-13-11-15(20)5-8-17(13)25(2)18-9-10-22-19(24-18)23-16-6-3-14(12-21)4-7-16/h3-11H,1-2H3,(H,22,23,24)