2-azanyl-5-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-6-(methoxyamino)-3-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)-6-(methoxyamino)-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-5-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)-6-(methoxyamino)-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-5-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)-6-(methoxyamino)-3-(2-pyrimidyl)benzonitrile Formula: C21H17BrN6O2 MolecularWeight: 465.30268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=C(C(=C2Br)NOC)C#N)N)C3=NC=CC=N3)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=C(C(=C2Br)NOC)C#N)N)C3=NC=CC=N3)C)C#N

InChI

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