S-[2-(7H-purin-6-ylsulfanyl)ethyl] ethanethioate

Systemtic Name: S-[2-(7H-purin-6-ylsulfanyl)ethyl] ethanethioate Openeye Name: S-[2-(7H-purin-6-ylsulfanyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(7H-purin-6-ylthio)ethyl] ester IUPAC Name: S-[2-(7H-purin-6-ylsulfanyl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(7H-purin-6-ylthio)ethyl] ester Formula: C9H10N4OS2 MolecularWeight: 254.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(=O)SCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C9H10N4OS2/c1-6(14)15-2-3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5H,2-3H2,1H3,(H,10,11,12,13)