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

Systemtic Name: 2-[3-[[2-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-9-purinyl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(6-amino-2-butoxy-8-methoxy-purin-9-yl)ethyl-(2-methoxyethyl)amino]methyl]phenyl]acetate Formula: C24H33N6O5- MolecularWeight: 485.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O5/c1-4-5-12-35-23-27-21(25)20-22(28-23)30(24(26-20)34-3)10-9-29(11-13-33-2)16-18-8-6-7-17(14-18)15-19(31)32/h6-8,14H,4-5,9-13,15-16H2,1-3H3,(H,31,32)(H2,25,27,28)/p-1