ethyl 2-(6-dodecylsulfanylpurin-9-yl)ethanoate

Systemtic Name: ethyl 2-(6-dodecylsulfanylpurin-9-yl)ethanoate Openeye Name: ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(dodecylthio)-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(laurylthio)purin-9-yl]acetic acid ethyl ester Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC

InChI

InChI=1S/C21H34N4O2S/c1-3-5-6-7-8-9-10-11-12-13-14-28-21-19-20(22-16-23-21)25(17-24-19)15-18(26)27-4-2/h16-17H,3-15H2,1-2H3