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

Systemtic Name: (phenylmethyl) 2-(6-decylsulfanylpurin-9-yl)ethanoate Openeye Name: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(decylthio)-9-purinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(decylthio)purin-9-yl]acetic acid benzyl ester Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2S/c1-2-3-4-5-6-7-8-12-15-31-24-22-23(25-18-26-24)28(19-27-22)16-21(29)30-17-20-13-10-9-11-14-20/h9-11,13-14,18-19H,2-8,12,15-17H2,1H3