2-[[4-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methyl]-1,2,3-triazol-1-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[4-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methyl]-1,2,3-triazol-1-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[4-[(2-acetamido-6-oxo-3H-purin-9-yl)methyl]triazol-1-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[4-[(2-acetamido-6-oxo-3H-purin-9-yl)methyl]-1-triazolyl]methoxy]ethyl ester IUPAC Name: 2-[[4-[(2-acetamido-6-oxo-3H-purin-9-yl)methyl]triazol-1-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[4-[(2-acetamido-6-keto-3H-purin-9-yl)methyl]triazol-1-yl]methoxy]ethyl ester Formula: C15H18N8O5 MolecularWeight: 390.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC3=CN(N=N3)COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC3=CN(N=N3)COCCOC(=O)C

InChI

InChI=1S/C15H18N8O5/c1-9(24)17-15-18-13-12(14(26)19-15)16-7-22(13)5-11-6-23(21-20-11)8-27-3-4-28-10(2)25/h6-7H,3-5,8H2,1-2H3,(H2,17,18,19,24,26)