2-[3-[[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]ethanoate

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate Formula: C22H29N6O5- MolecularWeight: 457.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(CCO)CC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN(CCO)CC3=CC=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C22H30N6O5/c1-2-3-11-33-21-25-19(23)18-20(26-21)28(22(32)24-18)8-7-27(9-10-29)14-16-6-4-5-15(12-16)13-17(30)31/h4-6,12,29H,2-3,7-11,13-14H2,1H3,(H,24,32)(H,30,31)(H2,23,25,26)/p-1