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

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-methyl-pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyanoanilino)-6-methyl-pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-methyl-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyanoanilino)-6-methylpyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyanoanilino)-6-methyl-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)C)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

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

InChI

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