3-[[4-(3-bromanyl-5-carbamimidoyl-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-carbamimidoyl-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-carbamimidoyl-phenoxy)-7-isobutyl-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[4-(3-bromo-5-carbamimidoylphenoxy)-7-(2-methylpropyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[4-(3-bromo-5-carbamimidoylphenoxy)-7-(2-methylpropyl)-6-oxo-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[4-(3-amidino-5-bromo-phenoxy)-7-isobutyl-6-keto-7,8-dihydro-5H-pteridin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C26H28BrN7O4 MolecularWeight: 582.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28BrN7O4/c1-13(2)8-19-23(35)31-20-22(30-19)32-26(38-17-7-5-6-14(10-17)25(36)34(3)4)33-24(20)37-18-11-15(21(28)29)9-16(27)12-18/h5-7,9-13,19H,8H2,1-4H3,(H3,28,29)(H,31,35)(H,30,32,33)