tert-butyl 3-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoate

Systemtic Name: tert-butyl 3-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoate Openeye Name: tert-butyl 3-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoate CAS Name: 3-[[2-(5-carbamimidoyl-2-ethoxyphenoxy)-8,9-diethyl-6-purinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(5-carbamimidoyl-2-ethoxyphenoxy)-8,9-diethylpurin-6-yl]oxybenzoate Traditional Name: 3-[2-(5-amidino-2-ethoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxybenzoic acid tert-butyl ester Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C(=N)N)OCC

Isomeric SMILES

CCC1=NC2=C(N1CC)N=C(N=C2OC3=CC=CC(=C3)C(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C(=N)N)OCC

InChI

InChI=1S/C29H34N6O5/c1-7-22-32-23-25(35(22)8-2)33-28(39-21-16-17(24(30)31)13-14-20(21)37-9-3)34-26(23)38-19-12-10-11-18(15-19)27(36)40-29(4,5)6/h10-16H,7-9H2,1-6H3,(H3,30,31)