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

Systemtic Name: 2-[3-[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]oxyphenyl]ethanoic acid Openeye Name: 2-[3-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidyl]oxy]phenyl]acetic acid CAS Name: 2-[3-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[3-[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidin-4-yl]oxyphenyl]acetic acid Traditional Name: 2-[3-[[1-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]-4-piperidyl]oxy]phenyl]acetic acid Formula: C26H36N6O5 MolecularWeight: 512.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C26H36N6O5/c1-2-3-15-36-25-29-23(27)22-24(30-25)32(26(35)28-22)12-5-4-11-31-13-9-19(10-14-31)37-20-8-6-7-18(16-20)17-21(33)34/h6-8,16,19H,2-5,9-15,17H2,1H3,(H,28,35)(H,33,34)(H2,27,29,30)