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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-formamido-3-methyl-butanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-formamido-3-methyl-butanoate CAS Name: (2S)-2-formamido-3-methylbutanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-formamido-3-methylbutanoate Traditional Name: (2S)-2-formamido-3-methyl-butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C14H20N6O5 MolecularWeight: 352.3458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O5/c1-8(2)9(17-6-21)13(23)25-4-3-24-7-20-5-16-10-11(20)18-14(15)19-12(10)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,21)(H3,15,18,19,22)/t9-/m0/s1