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

Systemtic Name: phenyl 2-(6-decylsulfanylpurin-9-yl)ethanoate Openeye Name: phenyl 2-(6-decylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(decylthio)-9-purinyl]acetic acid phenyl ester IUPAC Name: phenyl 2-(6-decylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(decylthio)purin-9-yl]acetic acid phenyl ester Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-8-12-15-30-23-21-22(24-17-25-23)27(18-26-21)16-20(28)29-19-13-10-9-11-14-19/h9-11,13-14,17-18H,2-8,12,15-16H2,1H3