2-[(2-acetamido-8-methylsulfanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate

Systemtic Name: 2-[(2-acetamido-8-methylsulfanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(2-acetamido-8-methylsulfanyl-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-8-(methylthio)-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[(2-acetamido-8-methylsulfanyl-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6-keto-8-(methylthio)-3H-purin-9-yl]methoxy]ethyl ester Formula: C13H17N5O5S MolecularWeight: 355.36958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SC)COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SC)COCCOC(=O)C

InChI

InChI=1S/C13H17N5O5S/c1-7(19)14-12-16-10-9(11(21)17-12)15-13(24-3)18(10)6-22-4-5-23-8(2)20/h4-6H2,1-3H3,(H2,14,16,17,19,21)