3-[4,5-bis(azanyl)-6-(3-bromanyl-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[4,5-bis(azanyl)-6-(3-bromanyl-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[4,5-diamino-6-(3-bromo-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[4,5-diamino-6-(3-bromo-5-cyanophenoxy)-2-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[4,5-diamino-6-(3-bromo-5-cyanophenoxy)pyrimidin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[4,5-diamino-6-(3-bromo-5-cyano-phenoxy)pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C20H17BrN6O3 MolecularWeight: 469.29138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)N)N

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)N)N

InChI

InChI=1S/C20H17BrN6O3/c1-27(2)19(28)12-4-3-5-14(8-12)30-20-25-17(24)16(23)18(26-20)29-15-7-11(10-22)6-13(21)9-15/h3-9H,23H2,1-2H3,(H2,24,25,26)