2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-hydroxyethyl)amino]methyl]phenyl]ethanoate

Systemtic Name: 2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-hydroxyethyl)amino]methyl]phenyl]ethanoate Openeye Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate CAS Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate IUPAC Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-hydroxyethyl)amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-(2-hydroxyethyl)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)NC(=O)N2CCCCN(CCO)CC3=CC=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCO)CC3=CC=CC(=C3)CC(=O)[O-]

InChI

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