4-carbamimidoyl-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-benzoic acid

Systemtic Name: 4-carbamimidoyl-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-benzoic acid Openeye Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-carbamimidoyl-benzoic acid CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]benzoic acid IUPAC Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-2-yl]oxy-4-carbamimidoylbenzoic acid Traditional Name: 4-amidino-2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-benzoic acid Formula: C30H27N7O5 MolecularWeight: 565.57928

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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(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H27N7O5/c1-17-33-24-26(37(17)16-18-8-5-4-6-9-18)34-30(42-23-15-19(25(31)32)12-13-22(23)29(39)40)35-27(24)41-21-11-7-10-20(14-21)28(38)36(2)3/h4-15H,16H2,1-3H3,(H3,31,32)(H,39,40)