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

Systemtic Name: ethyl (2S)-2-azanyl-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-amino-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-methyl-butanoate CAS Name: (2S)-2-amino-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-methylbutanoate Traditional Name: (2S)-2-amino-2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-methyl-butyric acid ethyl ester Formula: C13H20N6O4 MolecularWeight: 324.3357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)(N)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCOC(=O)[C@@](C(C)C)(N)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H20N6O4/c1-4-22-11(21)13(15,7(2)3)23-6-19-5-16-8-9(19)17-12(14)18-10(8)20/h5,7H,4,6,15H2,1-3H3,(H3,14,17,18,20)/t13-/m0/s1