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

Systemtic Name: 2-[[2-acetamido-6,8-bis(phenylmethylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6,8-bis(benzylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6,8-bis(phenylmethylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6,8-bis(benzylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6,8-bis(benzylthio)purin-9-yl]methoxy]ethyl ester Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=C(N2COCCOC(=O)C)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=C(N2COCCOC(=O)C)SCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4S2/c1-18(32)27-25-29-23-22(24(30-25)36-15-20-9-5-3-6-10-20)28-26(37-16-21-11-7-4-8-12-21)31(23)17-34-13-14-35-19(2)33/h3-12H,13-17H2,1-2H3,(H,27,29,30,32)