tert-butyl 2-(6-decylsulfanylpurin-9-yl)ethanoate

Systemtic Name: tert-butyl 2-(6-decylsulfanylpurin-9-yl)ethanoate Openeye Name: tert-butyl 2-(6-decylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(decylthio)-9-purinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-decylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(decylthio)purin-9-yl]acetic acid tert-butyl ester Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N4O2S/c1-5-6-7-8-9-10-11-12-13-28-20-18-19(22-15-23-20)25(16-24-18)14-17(26)27-21(2,3)4/h15-16H,5-14H2,1-4H3