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

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl-(2-methoxyethyl)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)NC(=O)N2CCN(CCOC)CC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

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

InChI

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