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

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)-methyl-amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyano-N-methyl-anilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyano-N-methylanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyano-N-methylanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyano-N-methyl-anilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C21H16BrN5O MolecularWeight: 434.28864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O/c1-13-8-16(11-24)9-14(2)19(13)28-20-18(22)12-25-21(26-20)27(3)17-6-4-15(10-23)5-7-17/h4-9,12H,1-3H3