tert-butyl 3-[3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxyphenyl]propanoate

Systemtic Name: tert-butyl 3-[3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxyphenyl]propanoate Openeye Name: tert-butyl 3-[3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxyphenyl]propanoate CAS Name: 3-[3-[[2-(5-carbamimidoyl-2-methoxyphenoxy)-8,9-diethyl-6-purinyl]oxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-(5-carbamimidoyl-2-methoxyphenoxy)-8,9-diethylpurin-6-yl]oxyphenyl]propanoate Traditional Name: 3-[3-[2-(5-amidino-2-methoxy-phenoxy)-8,9-diethyl-purin-6-yl]oxyphenyl]propionic acid tert-butyl ester Formula: C30H36N6O5 MolecularWeight: 560.64404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N6O5/c1-7-23-33-25-27(36(23)8-2)34-29(40-22-17-19(26(31)32)13-14-21(22)38-6)35-28(25)39-20-11-9-10-18(16-20)12-15-24(37)41-30(3,4)5/h9-11,13-14,16-17H,7-8,12,15H2,1-6H3,(H3,31,32)