4-[1-(4-acetyloxybutyl)-9-oxidanylidene-imidazo[1,2-a]purin-5-yl]butyl ethanoate

Systemtic Name: 4-[1-(4-acetyloxybutyl)-9-oxidanylidene-imidazo[1,2-a]purin-5-yl]butyl ethanoate Openeye Name: 4-[1-(4-acetoxybutyl)-9-oxo-imidazo[1,2-a]purin-5-yl]butyl acetate CAS Name: acetic acid 4-[1-(4-acetyloxybutyl)-9-oxo-5-imidazo[1,2-a]purinyl]butyl ester IUPAC Name: 4-[1-(4-acetyloxybutyl)-9-oxoimidazo[1,2-a]purin-5-yl]butyl acetate Traditional Name: acetic acid 4-[1-(4-acetoxybutyl)-9-keto-imidazo[1,2-a]purin-5-yl]butyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=CN2C1=NC3=C(C2=O)N(C=N3)CCCCOC(=O)C

Isomeric SMILES

CC(=O)OCCCCN1C=CN2C1=NC3=C(C2=O)N(C=N3)CCCCOC(=O)C

InChI

InChI=1S/C19H25N5O5/c1-14(25)28-11-5-3-7-22-9-10-24-18(27)16-17(21-19(22)24)20-13-23(16)8-4-6-12-29-15(2)26/h9-10,13H,3-8,11-12H2,1-2H3