3-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-2-(methoxymethyl)-6-(pyrimidin-2-ylamino)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-2-(methoxymethyl)-6-(pyrimidin-2-ylamino)benzenecarbonitrile Openeye Name: 3-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)-2-(methoxymethyl)-6-(pyrimidin-2-ylamino)benzonitrile CAS Name: 3-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-(methoxymethyl)-6-(2-pyrimidinylamino)benzonitrile IUPAC Name: 3-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-(methoxymethyl)-6-(pyrimidin-2-ylamino)benzonitrile Traditional Name: 3-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)-2-(methoxymethyl)-6-(2-pyrimidylamino)benzonitrile Formula: C22H18BrN5O2 MolecularWeight: 464.31462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=C(C(=C2)NC3=NC=CC=N3)C#N)COC)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=C(C(=C2)NC3=NC=CC=N3)C#N)COC)Br)C)C#N

InChI

InChI=1S/C22H18BrN5O2/c1-13-7-15(10-24)8-14(2)21(13)30-19-9-18(28-22-26-5-4-6-27-22)16(11-25)17(12-29-3)20(19)23/h4-9H,12H2,1-3H3,(H,26,27,28)