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

Systemtic Name: 2-[3-[1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidin-4-yl]oxyphenyl]ethanoic acid Openeye Name: 2-[3-[[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidyl]oxy]phenyl]acetic acid CAS Name: 2-[3-[[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[3-[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidin-4-yl]oxyphenyl]acetic acid Traditional Name: 2-[3-[[1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]-4-piperidyl]oxy]phenyl]acetic acid Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C25H34N6O5/c1-2-3-14-35-24-28-22(26)21-23(29-24)31(25(34)27-21)11-5-10-30-12-8-18(9-13-30)36-19-7-4-6-17(15-19)16-20(32)33/h4,6-7,15,18H,2-3,5,8-14,16H2,1H3,(H,27,34)(H,32,33)(H2,26,28,29)