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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-3-methyl-butanoate dihydrochloride Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methyl-butanoate dihydrochloride CAS Name: (2S)-2-amino-3-methylbutanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester dihydrochloride IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate dihydrochloride Traditional Name: (2S)-2-amino-3-methyl-butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester dihydrochloride Formula: C13H22Cl2N6O4 MolecularWeight: 397.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl.Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl.Cl

InChI

InChI=1S/C13H20N6O4.2ClH/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;;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);2*1H/t8-;;/m0../s1