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

Systemtic Name: tert-butyl 3-[3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxyphenyl]propanoate Openeye Name: tert-butyl 3-[3-[9-benzyl-2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-purin-6-yl]oxyphenyl]propanoate CAS Name: 3-[3-[[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[9-benzyl-2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methylpurin-6-yl]oxyphenyl]propanoate Traditional Name: 3-[3-[2-(5-amidino-2-methoxy-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxyphenyl]propionic acid tert-butyl ester Formula: C34H36N6O5 MolecularWeight: 608.68684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)CCC(=O)OC(C)(C)C)OC5=C(C=CC(=C5)C(=N)N)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)CCC(=O)OC(C)(C)C)OC5=C(C=CC(=C5)C(=N)N)OC

InChI

InChI=1S/C34H36N6O5/c1-21-37-29-31(40(21)20-23-10-7-6-8-11-23)38-33(44-27-19-24(30(35)36)15-16-26(27)42-5)39-32(29)43-25-13-9-12-22(18-25)14-17-28(41)45-34(2,3)4/h6-13,15-16,18-19H,14,17,20H2,1-5H3,(H3,35,36)