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

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(methoxyamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxyamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(methoxyamino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxyamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxyamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C21H17BrN6O2 MolecularWeight: 465.30268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN6O2/c1-12-8-15(11-24)9-13(2)18(12)30-20-17(22)19(28-29-3)26-21(27-20)25-16-6-4-14(10-23)5-7-16/h4-9H,1-3H3,(H2,25,26,27,28)