3-(dimethylamino)propyl 2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoate

Systemtic Name: 3-(dimethylamino)propyl 2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]benzoate Openeye Name: 3-(dimethylamino)propyl 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoate CAS Name: 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoate Traditional Name: 2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]benzoic acid 3-(dimethylamino)propyl ester Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC=C3C(=O)OCCCN(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=CC=C3C(=O)OCCCN(C)C

InChI

InChI=1S/C23H32N6O5/c1-4-5-13-34-22-26-19(24)18-20(27-22)29(23(31)25-18)12-15-32-17-10-7-6-9-16(17)21(30)33-14-8-11-28(2)3/h6-7,9-10H,4-5,8,11-15H2,1-3H3,(H,25,31)(H2,24,26,27)