octyl 2-(7H-purin-6-ylsulfanyl)ethanoate

Systemtic Name: octyl 2-(7H-purin-6-ylsulfanyl)ethanoate Openeye Name: octyl 2-(7H-purin-6-ylsulfanyl)acetate CAS Name: 2-(7H-purin-6-ylthio)acetic acid octyl ester IUPAC Name: octyl 2-(7H-purin-6-ylsulfanyl)acetate Traditional Name: 2-(7H-purin-6-ylthio)acetic acid octyl ester Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C15H22N4O2S/c1-2-3-4-5-6-7-8-21-12(20)9-22-15-13-14(17-10-16-13)18-11-19-15/h10-11H,2-9H2,1H3,(H,16,17,18,19)