tert-butyl 3-[[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoate

Systemtic Name: tert-butyl 3-[[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoate Openeye Name: tert-butyl 3-[[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoate CAS Name: 3-[[2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoate Traditional Name: 3-[[2-(5-amidino-2-ethoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]benzoic acid tert-butyl ester Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)OC(C)(C)C)NC(=N3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)OC(C)(C)C)NC(=N3)C

InChI

InChI=1S/C26H28N6O5/c1-6-34-18-11-10-15(21(27)28)13-19(18)36-25-31-22-20(29-14(2)30-22)23(32-25)35-17-9-7-8-16(12-17)24(33)37-26(3,4)5/h7-13H,6H2,1-5H3,(H3,27,28)(H,29,30,31,32)