2-[3-[1-[[4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]methyl]piperidin-4-yl]oxyphenyl]ethanoic acid

Systemtic Name: 2-[3-[1-[[4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]methyl]piperidin-4-yl]oxyphenyl]ethanoic acid Openeye Name: 2-[3-[[1-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl]-4-piperidyl]oxy]phenyl]acetic acid CAS Name: 2-[3-[[1-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl]-4-piperidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[3-[1-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl]piperidin-4-yl]oxyphenyl]acetic acid Traditional Name: 2-[3-[[1-[4-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]benzyl]-4-piperidyl]oxy]phenyl]acetic acid Formula: C29H34N6O6 MolecularWeight: 562.61686

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)OC5=CC=CC(=C5)CC(=O)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)OC5=CC=CC(=C5)CC(=O)O

InChI

InChI=1S/C29H34N6O6/c1-39-13-14-40-28-32-26(30)25-27(33-28)35(29(38)31-25)18-20-7-5-19(6-8-20)17-34-11-9-22(10-12-34)41-23-4-2-3-21(15-23)16-24(36)37/h2-8,15,22H,9-14,16-18H2,1H3,(H,31,38)(H,36,37)(H2,30,32,33)