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

Systemtic Name: ethyl 2-(6-decylsulfanylpurin-9-yl)ethanoate Openeye Name: ethyl 2-(6-decylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(decylthio)-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-decylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(decylthio)purin-9-yl]acetic acid ethyl ester Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC

InChI

InChI=1S/C19H30N4O2S/c1-3-5-6-7-8-9-10-11-12-26-19-17-18(20-14-21-19)23(15-22-17)13-16(24)25-4-2/h14-15H,3-13H2,1-2H3