3-[[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[8-benzyl-6-(3-bromo-5-carbamimidoyl-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-carbamimidoylphenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[8-benzyl-6-(3-bromo-5-carbamimidoylphenoxy)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-amidino-5-bromo-phenoxy)-8-benzyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H24BrN7O3 MolecularWeight: 586.43926

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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)N)Br)NC(=N3)CC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=CC(=C4)C(=N)N)Br)NC(=N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H24BrN7O3/c1-36(2)27(37)17-9-6-10-20(13-17)39-28-34-25-23(32-22(33-25)11-16-7-4-3-5-8-16)26(35-28)38-21-14-18(24(30)31)12-19(29)15-21/h3-10,12-15H,11H2,1-2H3,(H3,30,31)(H,32,33,34,35)