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

Systemtic Name: 2-[[2-acetamido-6,8-bis(octylsulfanyl)purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6,8-bis(octylsulfanyl)purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6,8-bis(octylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6,8-bis(octylsulfanyl)purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-6,8-bis(octylthio)purin-9-yl]methoxy]ethyl ester Formula: C28H47N5O4S2 MolecularWeight: 581.83388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SCCCCCCCC)NC(=O)C

Isomeric SMILES

CCCCCCCCSC1=NC(=NC2=C1N=C(N2COCCOC(=O)C)SCCCCCCCC)NC(=O)C

InChI

InChI=1S/C28H47N5O4S2/c1-5-7-9-11-13-15-19-38-26-24-25(31-27(32-26)29-22(3)34)33(21-36-17-18-37-23(4)35)28(30-24)39-20-16-14-12-10-8-6-2/h5-21H2,1-4H3,(H,29,31,32,34)