3-[[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid

Systemtic Name: 3-[[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid Openeye Name: 3-[[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid CAS Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid IUPAC Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid Traditional Name: 3-[[2-(5-amidino-2-phenoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid Formula: C26H20N6O5 MolecularWeight: 496.4742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H20N6O5/c1-14-29-21-23(30-14)31-26(32-24(21)36-18-9-5-6-16(12-18)25(33)34)37-20-13-15(22(27)28)10-11-19(20)35-17-7-3-2-4-8-17/h2-13H,1H3,(H3,27,28)(H,33,34)(H,29,30,31,32)