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

Systemtic Name: tert-butyl 3-[3-[[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]phenyl]propanoate Openeye Name: tert-butyl 3-[3-[[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]phenyl]propanoate CAS Name: 3-[3-[[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-7H-purin-6-yl]oxy]phenyl]propanoate Traditional Name: 3-[3-[[2-(5-amidino-2-methoxy-phenoxy)-8-methyl-7H-purin-6-yl]oxy]phenyl]propionic acid tert-butyl ester Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)OC)OC4=CC=CC(=C4)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)OC)OC4=CC=CC(=C4)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C27H30N6O5/c1-15-30-22-24(31-15)32-26(37-20-14-17(23(28)29)10-11-19(20)35-5)33-25(22)36-18-8-6-7-16(13-18)9-12-21(34)38-27(2,3)4/h6-8,10-11,13-14H,9,12H2,1-5H3,(H3,28,29)(H,30,31,32,33)