[2-[(2-azanyl-6-oxidanylidene-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] ester IUPAC Name: [2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [2-[(2-amino-6-keto-5H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] ester Formula: C13H20N6O4 MolecularWeight: 328.360347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)N)OCN1C=NC2C1=NC(=NC2=O)N

InChI

InChI=1S/C13H20N6O4/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)/t8-,9?/m0/s1/i3D2,4D2