[3-(acetyloxymethyl)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] ethanoate hydrochloride

Systemtic Name: [3-(acetyloxymethyl)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] ethanoate hydrochloride Openeye Name: [3-(acetoxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] acetate hydrochloride CAS Name: acetic acid [3-(acetyloxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] ester hydrochloride IUPAC Name: [3-(acetyloxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] acetate hydrochloride Traditional Name: acetic acid [3-(acetoxymethyl)-4-(2-amino-6-keto-3H-purin-9-yl)butyl] ester hydrochloride Formula: C14H20ClN5O5 MolecularWeight: 373.7921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)C.Cl

Isomeric SMILES

CC(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)COC(=O)C.Cl

InChI

InChI=1S/C14H19N5O5.ClH/c1-8(20)23-4-3-10(6-24-9(2)21)5-19-7-16-11-12(19)17-14(15)18-13(11)22;/h7,10H,3-6H2,1-2H3,(H3,15,17,18,22);1H