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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2-azanyl-3-methyl-butanoate hydrate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methyl-butanoate hydrate CAS Name: 2-amino-3-methylbutanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester hydrate IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate hydrate Traditional Name: 2-amino-3-methyl-butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester hydrate Formula: C13H22N6O5 MolecularWeight: 342.35098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6O4.H2O/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);1H2