2-[(2-azanyl-6-oxidanylidene-5H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-5H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: 2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methyl-butanoate hydrochloride CAS Name: (2S)-2-amino-3-methylbutanoic acid 2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethyl ester hydrochloride IUPAC Name: 2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-butyric acid 2-[(2-amino-6-keto-5H-purin-9-yl)methoxy]ethyl ester hydrochloride Formula: C13H21ClN6O4 MolecularWeight: 360.79664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOCN1C=NC2C1=NC(=NC2=O)N)N.Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2C1=NC(=NC2=O)N)N.Cl

InChI

InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-9H,3-4,6,14H2,1-2H3,(H2,15,18,20);1H/t8-,9?;/m0./s1