tert-butyl 3-[9-(6-azanyl-1-ethoxy-1-oxidanylidene-hexan-2-yl)-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoate

Systemtic Name: tert-butyl 3-[9-(6-azanyl-1-ethoxy-1-oxidanylidene-hexan-2-yl)-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoate Openeye Name: tert-butyl 3-[9-(5-amino-1-ethoxycarbonyl-pentyl)-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoate CAS Name: 3-[[9-(6-amino-1-ethoxy-1-oxohexan-2-yl)-2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methyl-6-purinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[9-(6-amino-1-ethoxy-1-oxohexan-2-yl)-2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methylpurin-6-yl]oxybenzoate Traditional Name: 3-[2-(5-amidino-2-ethoxy-phenoxy)-9-(5-amino-1-carbethoxy-pentyl)-8-methyl-purin-6-yl]oxybenzoic acid tert-butyl ester Formula: C34H43N7O7 MolecularWeight: 661.74792

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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)N=C(N3C(CCCCN)C(=O)OCC)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)N=C(N3C(CCCCN)C(=O)OCC)C

InChI

InChI=1S/C34H43N7O7/c1-7-44-25-16-15-21(28(36)37)19-26(25)47-33-39-29-27(38-20(3)41(29)24(14-9-10-17-35)32(43)45-8-2)30(40-33)46-23-13-11-12-22(18-23)31(42)48-34(4,5)6/h11-13,15-16,18-19,24H,7-10,14,17,35H2,1-6H3,(H3,36,37)