4-[6-azanyl-2-(2-azanyl-3-cyano-phenyl)-5-bromanyl-pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[6-azanyl-2-(2-azanyl-3-cyano-phenyl)-5-bromanyl-pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[6-amino-2-(2-amino-3-cyano-phenyl)-5-bromo-pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[6-amino-2-(2-amino-3-cyanophenyl)-5-bromo-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[6-amino-2-(2-amino-3-cyanophenyl)-5-bromopyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[6-amino-2-(2-amino-3-cyano-phenyl)-5-bromo-pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C20H15BrN6O MolecularWeight: 435.2767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)C3=CC=CC(=C3N)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)C3=CC=CC(=C3N)C#N)C)C#N

InChI

InChI=1S/C20H15BrN6O/c1-10-6-12(8-22)7-11(2)17(10)28-20-15(21)18(25)26-19(27-20)14-5-3-4-13(9-23)16(14)24/h3-7H,24H2,1-2H3,(H2,25,26,27)