acetyloxymethyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(3-oxidanylpropylamino)-7H-purin-9-yl]methyl]phenyl]propanoate

Systemtic Name: acetyloxymethyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(3-oxidanylpropylamino)-7H-purin-9-yl]methyl]phenyl]propanoate Openeye Name: acetoxymethyl 2-[3-[[6-amino-2-(3-hydroxypropylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]propanoate CAS Name: 2-[3-[[6-amino-2-(3-hydroxypropylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]propanoic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-[3-[[6-amino-2-(3-hydroxypropylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]propanoate Traditional Name: 2-[3-[[6-amino-2-(3-hydroxypropylamino)-8-keto-7H-purin-9-yl]methyl]phenyl]propionic acid acetoxymethyl ester Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)NCCCO)N)NC2=O)C(=O)OCOC(=O)C

Isomeric SMILES

CC(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)NCCCO)N)NC2=O)C(=O)OCOC(=O)C

InChI

InChI=1S/C21H26N6O6/c1-12(19(30)33-11-32-13(2)29)15-6-3-5-14(9-15)10-27-18-16(24-21(27)31)17(22)25-20(26-18)23-7-4-8-28/h3,5-6,9,12,28H,4,7-8,10-11H2,1-2H3,(H,24,31)(H3,22,23,25,26)