2-[[2-acetamido-6-[(4-chlorophenyl)methylsulfanyl]-8-pentylsulfanyl-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-acetamido-6-[(4-chlorophenyl)methylsulfanyl]-8-pentylsulfanyl-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-6-[(4-chlorophenyl)methylsulfanyl]-8-pentylsulfanyl-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6-[(4-chlorophenyl)methylthio]-8-(pentylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6-[(4-chlorophenyl)methylsulfanyl]-8-pentylsulfanylpurin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(amylthio)-6-[(4-chlorobenzyl)thio]purin-9-yl]methoxy]ethyl ester Formula: C24H30ClN5O4S2 MolecularWeight: 552.1091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1COCCOC(=O)C)N=C(N=C2SCC3=CC=C(C=C3)Cl)NC(=O)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1COCCOC(=O)C)N=C(N=C2SCC3=CC=C(C=C3)Cl)NC(=O)C

InChI

InChI=1S/C24H30ClN5O4S2/c1-4-5-6-13-35-24-27-20-21(30(24)15-33-11-12-34-17(3)32)28-23(26-16(2)31)29-22(20)36-14-18-7-9-19(25)10-8-18/h7-10H,4-6,11-15H2,1-3H3,(H,26,28,29,31)