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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-azanyl-3-methyl-pentanoate hydrochloride Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-amino-3-methyl-pentanoate hydrochloride CAS Name: (2S)-2-amino-3-methylpentanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(1-oxobutoxymethyl)butyl] ester hydrochloride IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(butanoyloxymethyl)butyl] (2S)-2-amino-3-methylpentanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-valeric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(butyryloxymethyl)butyl] ester hydrochloride Formula: C20H33ClN6O5 MolecularWeight: 472.96622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O5.ClH/c1-4-6-14(27)30-9-13(10-31-19(29)15(21)12(3)5-2)7-8-26-11-23-16-17(26)24-20(22)25-18(16)28;/h11-13,15H,4-10,21H2,1-3H3,(H3,22,24,25,28);1H/t12?,13?,15-;/m0./s1