3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxybenzoic acid

Systemtic Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxybenzoic acid Openeye Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoic acid CAS Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]benzoic acid IUPAC Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methylpurin-6-yl]oxybenzoic acid Traditional Name: 3-[2-(5-amidino-2-phenoxy-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxybenzoic acid Formula: C33H26N6O5 MolecularWeight: 586.59674

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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)O)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)O)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

InChI

InChI=1S/C33H26N6O5/c1-20-36-28-30(39(20)19-21-9-4-2-5-10-21)37-33(38-31(28)43-25-14-8-11-23(17-25)32(40)41)44-27-18-22(29(34)35)15-16-26(27)42-24-12-6-3-7-13-24/h2-18H,19H2,1H3,(H3,34,35)(H,40,41)