[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-propanoyloxy-butyl] propanoate hydrochloride

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-propanoyloxy-butyl] propanoate hydrochloride Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-propanoyloxy-butyl] propanoate hydrochloride CAS Name: propanoic acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-(1-oxopropoxy)butyl] ester hydrochloride IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-propanoyloxybutyl] propanoate hydrochloride Traditional Name: propionic acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-propionyloxy-butyl] ester hydrochloride Formula: C16H24ClN5O5 MolecularWeight: 401.84526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O5.ClH/c1-3-11(22)25-6-5-10(8-26-12(23)4-2)7-21-9-18-13-14(21)19-16(17)20-15(13)24;/h9-10H,3-8H2,1-2H3,(H3,17,19,20,24);1H