2-[(6-chloranylpurin-9-yl)methylsulfanyl]ethyl ethanoate

Systemtic Name: 2-[(6-chloranylpurin-9-yl)methylsulfanyl]ethyl ethanoate Openeye Name: 2-[(6-chloropurin-9-yl)methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[(6-chloro-9-purinyl)methylthio]ethyl ester IUPAC Name: 2-[(6-chloropurin-9-yl)methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[(6-chloropurin-9-yl)methylthio]ethyl ester Formula: C10H11ClN4O2S MolecularWeight: 286.73794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCN1C=NC2=C1N=CN=C2Cl

Isomeric SMILES

CC(=O)OCCSCN1C=NC2=C1N=CN=C2Cl

InChI

InChI=1S/C10H11ClN4O2S/c1-7(16)17-2-3-18-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,2-3,6H2,1H3