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

Systemtic Name: 3-[[4-(3-bromanyl-5-cyano-phenoxy)-7-(2-methylpropyl)-6-oxidanylidene-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[4-(3-bromo-5-cyano-phenoxy)-7-isobutyl-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(3-bromo-5-cyanophenoxy)-7-(2-methylpropyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(3-bromo-5-cyanophenoxy)-7-(2-methylpropyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(3-bromo-5-cyano-phenoxy)-7-isobutyl-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C26H25BrN6O4 MolecularWeight: 565.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=CC(=C3)C#N)Br)OC4=CC=CC(=C4)C(=O)N(C)C

Isomeric SMILES

CC(C)CC1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=CC(=C3)C#N)Br)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C26H25BrN6O4/c1-14(2)8-20-23(34)30-21-22(29-20)31-26(37-18-7-5-6-16(11-18)25(35)33(3)4)32-24(21)36-19-10-15(13-28)9-17(27)12-19/h5-7,9-12,14,20H,8H2,1-4H3,(H,30,34)(H,29,31,32)