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

Systemtic Name: 3-[[6-(5-carbamimidoyl-2-chloranyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[8-benzyl-6-(5-carbamimidoyl-2-chloro-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-carbamimidoyl-2-chlorophenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[8-benzyl-6-(5-carbamimidoyl-2-chlorophenoxy)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(5-amidino-2-chloro-phenoxy)-8-benzyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H24ClN7O3 MolecularWeight: 541.98826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClN7O3/c1-36(2)27(37)18-9-6-10-19(14-18)38-28-34-25-23(32-22(33-25)13-16-7-4-3-5-8-16)26(35-28)39-21-15-17(24(30)31)11-12-20(21)29/h3-12,14-15H,13H2,1-2H3,(H3,30,31)(H,32,33,34,35)