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

Systemtic Name: acetyloxymethyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(3-oxidanylpropoxy)-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: acetoxymethyl 2-[3-[[6-amino-2-(3-hydroxypropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-hydroxypropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-[3-[[6-amino-2-(3-hydroxypropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(3-hydroxypropoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid acetoxymethyl ester Formula: C20H23N5O7 MolecularWeight: 445.42592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCO)N)NC2=O

Isomeric SMILES

CC(=O)OCOC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCO)N)NC2=O

InChI

InChI=1S/C20H23N5O7/c1-12(27)31-11-32-15(28)9-13-4-2-5-14(8-13)10-25-18-16(22-20(25)29)17(21)23-19(24-18)30-7-3-6-26/h2,4-5,8,26H,3,6-7,9-11H2,1H3,(H,22,29)(H2,21,23,24)