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

Systemtic Name: 2-[(2-acetamido-6-chloranyl-8-pentylsulfanyl-purin-9-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(2-acetamido-6-chloro-8-pentylsulfanyl-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6-chloro-8-(pentylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[(2-acetamido-6-chloro-8-pentylsulfanylpurin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(amylthio)-6-chloro-purin-9-yl]methoxy]ethyl ester Formula: C17H24ClN5O4S MolecularWeight: 429.92156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1COCCOC(=O)C)N=C(N=C2Cl)NC(=O)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1COCCOC(=O)C)N=C(N=C2Cl)NC(=O)C

InChI

InChI=1S/C17H24ClN5O4S/c1-4-5-6-9-28-17-20-13-14(18)21-16(19-11(2)24)22-15(13)23(17)10-26-7-8-27-12(3)25/h4-10H2,1-3H3,(H,19,21,22,24)