2-[2-azanyl-1-(1,3-diacetyloxypropan-2-yloxy)-6-oxidanylidene-purin-9-yl]ethyl ethanoate

Systemtic Name: 2-[2-azanyl-1-(1,3-diacetyloxypropan-2-yloxy)-6-oxidanylidene-purin-9-yl]ethyl ethanoate Openeye Name: 2-[1-[2-acetoxy-1-(acetoxymethyl)ethoxy]-2-amino-6-oxo-purin-9-yl]ethyl acetate CAS Name: acetic acid 2-[2-amino-1-(1,3-diacetyloxypropan-2-yloxy)-6-oxo-9-purinyl]ethyl ester IUPAC Name: 2-[2-amino-1-(1,3-diacetyloxypropan-2-yloxy)-6-oxopurin-9-yl]ethyl acetate Traditional Name: acetic acid 2-[1-[2-acetoxy-1-(acetoxymethyl)ethoxy]-2-amino-6-keto-purin-9-yl]ethyl ester Formula: C16H21N5O8 MolecularWeight: 411.36664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=NC2=C1N=C(N(C2=O)OC(COC(=O)C)COC(=O)C)N

Isomeric SMILES

CC(=O)OCCN1C=NC2=C1N=C(N(C2=O)OC(COC(=O)C)COC(=O)C)N

InChI

InChI=1S/C16H21N5O8/c1-9(22)26-5-4-20-8-18-13-14(20)19-16(17)21(15(13)25)29-12(6-27-10(2)23)7-28-11(3)24/h8,12H,4-7H2,1-3H3,(H2,17,19)