diethyl 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-6-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]phenoxy]purin-9-yl]pentanedioate

Systemtic Name: diethyl 2-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-6-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]phenoxy]purin-9-yl]pentanedioate Openeye Name: diethyl 2-[6-[3-(3-tert-butoxy-3-oxo-propyl)phenoxy]-2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-purin-9-yl]pentanedioate CAS Name: 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-6-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]-9-purinyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-6-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]purin-9-yl]pentanedioate Traditional Name: 2-[2-(5-amidino-2-methoxy-phenoxy)-6-[3-(3-tert-butoxy-3-keto-propyl)phenoxy]-8-methyl-purin-9-yl]glutaric acid diethyl ester Formula: C36H44N6O9 MolecularWeight: 704.76936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)CCC(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C(=N)N)OC)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1C(=NC2=C1N=C(N=C2OC3=CC=CC(=C3)CCC(=O)OC(C)(C)C)OC4=C(C=CC(=C4)C(=N)N)OC)C

InChI

InChI=1S/C36H44N6O9/c1-8-47-28(43)18-15-25(34(45)48-9-2)42-21(3)39-30-32(42)40-35(50-27-20-23(31(37)38)14-16-26(27)46-7)41-33(30)49-24-12-10-11-22(19-24)13-17-29(44)51-36(4,5)6/h10-12,14,16,19-20,25H,8-9,13,15,17-18H2,1-7H3,(H3,37,38)