4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(methoxymethyl)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(methoxymethyl)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxymethyl)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(methoxymethyl)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxymethyl)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxymethyl)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C22H18BrN5O2 MolecularWeight: 464.31462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)COC)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)COC)NC3=CC=C(C=C3)C#N)C)C#N

InChI

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