1-acetyloxyethyl 2-[3-[[6-azanyl-2-(4-oxidanylbutoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: 1-acetyloxyethyl 2-[3-[[6-azanyl-2-(4-oxidanylbutoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: 1-acetoxyethyl 2-[3-[[6-amino-2-(4-hydroxybutoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(4-hydroxybutoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 2-[3-[[6-amino-2-(4-hydroxybutoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(4-hydroxybutoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid 1-acetoxyethyl ester Formula: C22H27N5O7 MolecularWeight: 473.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C)OC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCCO)N)NC2=O

Isomeric SMILES

CC(OC(=O)C)OC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCCO)N)NC2=O

InChI

InChI=1S/C22H27N5O7/c1-13(29)33-14(2)34-17(30)11-15-6-5-7-16(10-15)12-27-20-18(24-22(27)31)19(23)25-21(26-20)32-9-4-3-8-28/h5-7,10,14,28H,3-4,8-9,11-12H2,1-2H3,(H,24,31)(H2,23,25,26)