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

Systemtic Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoic acid Openeye Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoic acid CAS Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8,9-diethyl-6-purinyl]oxy]benzoic acid IUPAC Name: 3-[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8,9-diethylpurin-6-yl]oxybenzoic acid Traditional Name: 3-[2-(5-amidino-2-phenoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoic acid Formula: C29H26N6O5 MolecularWeight: 538.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)O)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)O)OC4=C(C=CC(=C4)C(=N)N)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N6O5/c1-3-23-32-24-26(35(23)4-2)33-29(34-27(24)39-20-12-8-9-18(15-20)28(36)37)40-22-16-17(25(30)31)13-14-21(22)38-19-10-6-5-7-11-19/h5-16H,3-4H2,1-2H3,(H3,30,31)(H,36,37)