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

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-9-purinyl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate Formula: C23H31N6O5- MolecularWeight: 471.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O5/c1-3-4-12-34-22-26-20(24)19-21(27-22)29(23(25-19)33-2)9-8-28(10-11-30)15-17-7-5-6-16(13-17)14-18(31)32/h5-7,13,30H,3-4,8-12,14-15H2,1-2H3,(H,31,32)(H2,24,26,27)/p-1