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

Systemtic Name: 2-[[2-acetamido-8-(2-hydroxyethylsulfanyl)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-8-(2-hydroxyethylsulfanyl)-6-oxo-3H-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-8-(2-hydroxyethylthio)-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-8-(2-hydroxyethylsulfanyl)-6-oxo-3H-purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(2-hydroxyethylthio)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C14H19N5O6S MolecularWeight: 385.39556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O6S/c1-8(21)15-13-17-11-10(12(23)18-13)16-14(26-6-3-20)19(11)7-24-4-5-25-9(2)22/h20H,3-7H2,1-2H3,(H2,15,17,18,21,23)