2-[(2-acetamido-6-oxidanylidene-5H-purin-7-yl)methoxy]ethyl ethanoate hydrate

Systemtic Name: 2-[(2-acetamido-6-oxidanylidene-5H-purin-7-yl)methoxy]ethyl ethanoate hydrate Openeye Name: 2-[(2-acetamido-6-oxo-5H-purin-7-yl)methoxy]ethyl acetate hydrate CAS Name: acetic acid 2-[(2-acetamido-6-oxo-5H-purin-7-yl)methoxy]ethyl ester hydrate IUPAC Name: 2-[(2-acetamido-6-oxo-5H-purin-7-yl)methoxy]ethyl acetate hydrate Traditional Name: acetic acid 2-[(2-acetamido-6-keto-5H-purin-7-yl)methoxy]ethyl ester hydrate Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2C(=N1)N=CN2COCCOC(=O)C.O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2C(=N1)N=CN2COCCOC(=O)C.O

InChI

InChI=1S/C12H15N5O5.H2O/c1-7(18)14-12-15-10-9(11(20)16-12)17(5-13-10)6-21-3-4-22-8(2)19;/h5,9H,3-4,6H2,1-2H3,(H,14,16,18,20);1H2