3-[[4-(3-bromanyl-5-cyano-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[4-(3-bromanyl-5-cyano-phenoxy)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(3-bromo-5-cyano-phenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(3-bromo-5-cyanophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(3-bromo-5-cyanophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(3-bromo-5-cyano-phenoxy)-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C22H17BrN6O4 MolecularWeight: 509.31218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=CC(=C4)C#N)Br)NC(=O)CN3

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=CC(=C4)C#N)Br)NC(=O)CN3

InChI

InChI=1S/C22H17BrN6O4/c1-29(2)21(31)13-4-3-5-15(8-13)33-22-27-19-18(26-17(30)11-25-19)20(28-22)32-16-7-12(10-24)6-14(23)9-16/h3-9H,11H2,1-2H3,(H,26,30)(H,25,27,28)