3-bromanyl-4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(4,6-dimethoxy-5-pyrimidinyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzonitrile Formula: C14H13BrN4O2 MolecularWeight: 349.18262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2=C(C=C(C=C2)C#N)Br

InChI

InChI=1S/C14H13BrN4O2/c1-20-13-10(14(21-2)19-8-18-13)7-17-12-4-3-9(6-16)5-11(12)15/h3-5,8,17H,7H2,1-2H3