4-[[5-bromanyl-4-(4-isocyano-2,6-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-4-(4-isocyano-2,6-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-bromo-4-(4-isocyano-2,6-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-bromo-4-(4-isocyano-2,6-dimethylphenoxy)-6-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-bromo-4-(4-isocyano-2,6-dimethylphenoxy)-6-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-bromo-4-(4-isocyano-2,6-dimethyl-phenoxy)-6-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C21H16BrN5O MolecularWeight: 434.28864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)C)NC3=CC=C(C=C3)C#N)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)C)NC3=CC=C(C=C3)C#N)C)[N+]#[C-]

InChI

InChI=1S/C21H16BrN5O/c1-12-9-17(24-4)10-13(2)19(12)28-20-18(22)14(3)25-21(27-20)26-16-7-5-15(11-23)6-8-16/h5-10H,1-3H3,(H,25,26,27)