3-[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-6-(3-bromo-5-carbamimidoyl-phenoxy)-8-methyl-purin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-carbamimidoylphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-6-(3-bromo-5-carbamimidoylphenoxy)-8-methylpurin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(3-amidino-5-bromo-phenoxy)-9-benzyl-8-methyl-purin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C29H26BrN7O3 MolecularWeight: 600.46584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C(=N)N)Br)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)C(=N)N)Br)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C29H26BrN7O3/c1-17-33-24-26(37(17)16-18-8-5-4-6-9-18)34-29(40-22-11-7-10-19(13-22)28(38)36(2)3)35-27(24)39-23-14-20(25(31)32)12-21(30)15-23/h4-15H,16H2,1-3H3,(H3,31,32)