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

Systemtic Name: 2-azanyl-5-bromanyl-6-chloranyl-4-(4-cyano-2,6-dimethyl-phenoxy)-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-5-bromo-6-chloro-4-(4-cyano-2,6-dimethyl-phenoxy)-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-5-bromo-6-chloro-4-(4-cyano-2,6-dimethylphenoxy)-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-5-bromo-6-chloro-4-(4-cyano-2,6-dimethylphenoxy)-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-5-bromo-6-chloro-4-(4-cyano-2,6-dimethyl-phenoxy)-3-(2-pyrimidyl)benzonitrile Formula: C20H13BrClN5O MolecularWeight: 454.70712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN5O/c1-10-6-12(8-23)7-11(2)18(10)28-19-14(20-26-4-3-5-27-20)17(25)13(9-24)16(22)15(19)21/h3-7H,25H2,1-2H3