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

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)-(2-hydroxyethyloxymethyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-[4-cyano-N-(2-hydroxyethoxymethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[4-cyano-N-(2-hydroxyethoxymethyl)anilino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-[4-cyano-N-(2-hydroxyethoxymethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-[4-cyano-N-(2-hydroxyethoxymethyl)anilino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C23H20BrN5O3 MolecularWeight: 494.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O3/c1-15-9-18(12-26)10-16(2)21(15)32-22-20(24)13-27-23(28-22)29(14-31-8-7-30)19-5-3-17(11-25)4-6-19/h3-6,9-10,13,30H,7-8,14H2,1-2H3