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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-azido-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-azido-3-methyl-butanoate CAS Name: (2S)-2-azido-3-methylbutanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-azido-3-methylbutanoate Traditional Name: (2S)-2-azido-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C14H20N8O5 MolecularWeight: 380.3592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N=[N+]=[N-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N=[N+]=[N-]

InChI

InChI=1S/C14H20N8O5/c1-7(2)9(20-21-16)13(25)26-4-8(3-23)27-6-22-5-17-10-11(22)18-14(15)19-12(10)24/h5,7-9,23H,3-4,6H2,1-2H3,(H3,15,18,19,24)/t8?,9-/m0/s1