2-[[2-acetamido-6,8-bis(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-acetamido-6,8-bis(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6,8-bis(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6,8-bis(2-hydroxyethylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6,8-bis(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6,8-bis(2-hydroxyethylthio)purin-9-yl]methoxy]ethyl ester Formula: C16H23N5O6S2 MolecularWeight: 445.51372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SCCO)N=C(N2COCCOC(=O)C)SCCO

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SCCO)N=C(N2COCCOC(=O)C)SCCO

InChI

InChI=1S/C16H23N5O6S2/c1-10(24)17-15-19-13-12(14(20-15)28-7-3-22)18-16(29-8-4-23)21(13)9-26-5-6-27-11(2)25/h22-23H,3-9H2,1-2H3,(H,17,19,20,24)