2-[(3-azanyl-2-bromanyl-6-cyano-phenyl)amino]-5-(2,6-dimethylphenoxy)pyrimidine-4-carbonitrile

Systemtic Name: 2-[(3-azanyl-2-bromanyl-6-cyano-phenyl)amino]-5-(2,6-dimethylphenoxy)pyrimidine-4-carbonitrile Openeye Name: 2-(3-amino-2-bromo-6-cyano-anilino)-5-(2,6-dimethylphenoxy)pyrimidine-4-carbonitrile CAS Name: 2-(3-amino-2-bromo-6-cyanoanilino)-5-(2,6-dimethylphenoxy)-4-pyrimidinecarbonitrile IUPAC Name: 2-(3-amino-2-bromo-6-cyanoanilino)-5-(2,6-dimethylphenoxy)pyrimidine-4-carbonitrile Traditional Name: 2-(3-amino-2-bromo-6-cyano-anilino)-5-(2,6-dimethylphenoxy)pyrimidine-4-carbonitrile Formula: C20H15BrN6O MolecularWeight: 435.2767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CN=C(N=C2C#N)NC3=C(C=CC(=C3Br)N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CN=C(N=C2C#N)NC3=C(C=CC(=C3Br)N)C#N

InChI

InChI=1S/C20H15BrN6O/c1-11-4-3-5-12(2)19(11)28-16-10-25-20(26-15(16)9-23)27-18-13(8-22)6-7-14(24)17(18)21/h3-7,10H,24H2,1-2H3,(H,25,26,27)