2-[[(4R,5S)-2-acetamido-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[(4R,5S)-2-acetamido-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[(4R,5S)-2-acetamido-6-oxo-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[(4R,5S)-2-acetamido-6-oxo-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[(4R,5S)-2-acetamido-6-oxo-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[(4R,5S)-2-acetamido-6-keto-4,5-dihydro-1H-purin-9-yl]methoxy]ethyl ester Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2C(C(=O)N1)N=CN2COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=N[C@H]2[C@@H](C(=O)N1)N=CN2COCCOC(=O)C

InChI

InChI=1S/C12H17N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5,9-10H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)/t9-,10+/m0/s1