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

Systemtic Name: 2-[[2-acetamido-6-chloranyl-8-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6-chloro-8-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6-chloro-8-(2-hydroxyethylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6-chloro-8-(2-hydroxyethylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6-chloro-8-(2-hydroxyethylthio)purin-9-yl]methoxy]ethyl ester Formula: C14H18ClN5O5S MolecularWeight: 403.84122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN5O5S/c1-8(22)16-13-18-11(15)10-12(19-13)20(14(17-10)26-6-3-21)7-24-4-5-25-9(2)23/h21H,3-7H2,1-2H3,(H,16,18,19,22)