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

Systemtic Name: 4-[5-bromanyl-2-[cyanomethyl-(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-[4-cyano-N-(cyanomethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[4-cyano-N-(cyanomethyl)anilino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-[4-cyano-N-(cyanomethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-[4-cyano-N-(cyanomethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C22H15BrN6O MolecularWeight: 459.2981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN6O/c1-14-9-17(12-26)10-15(2)20(14)30-21-19(23)13-27-22(28-21)29(8-7-24)18-5-3-16(11-25)4-6-18/h3-6,9-10,13H,8H2,1-2H3