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

Systemtic Name: tert-butyl 3-[2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxybenzoate Openeye Name: tert-butyl 3-[9-benzyl-2-(5-carbamimidoyl-2-ethoxy-phenoxy)-8-methyl-purin-6-yl]oxybenzoate CAS Name: 3-[[2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[9-benzyl-2-(5-carbamimidoyl-2-ethoxyphenoxy)-8-methylpurin-6-yl]oxybenzoate Traditional Name: 3-[2-(5-amidino-2-ethoxy-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxybenzoic acid tert-butyl ester Formula: C33H34N6O5 MolecularWeight: 594.66026

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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(N3CC5=CC=CC=C5)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(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C33H34N6O5/c1-6-41-25-16-15-22(28(34)35)18-26(25)43-32-37-29-27(36-20(2)39(29)19-21-11-8-7-9-12-21)30(38-32)42-24-14-10-13-23(17-24)31(40)44-33(3,4)5/h7-18H,6,19H2,1-5H3,(H3,34,35)