[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-butanoate hydrochloride CAS Name: (2S)-2-amino-3-methylbutanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2-methyl-1-oxopropoxy)methyl]butyl] ester hydrochloride IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)butyl] (2S)-2-amino-3-methylbutanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-butyric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(isobutyryloxymethyl)butyl] ester hydrochloride Formula: C19H31ClN6O5 MolecularWeight: 458.93964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C)C)N.Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C)C)N.Cl

InChI

InChI=1S/C19H30N6O5.ClH/c1-10(2)13(20)18(28)30-8-12(7-29-17(27)11(3)4)5-6-25-9-22-14-15(25)23-19(21)24-16(14)26;/h9-13H,5-8,20H2,1-4H3,(H3,21,23,24,26);1H/t12?,13-;/m0./s1