methyl 2-(5H-purin-6-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-(5H-purin-6-ylsulfanyl)ethanoate Openeye Name: methyl 2-(5H-purin-6-ylsulfanyl)acetate CAS Name: 2-(5H-purin-6-ylthio)acetic acid methyl ester IUPAC Name: methyl 2-(5H-purin-6-ylsulfanyl)acetate Traditional Name: 2-(5H-purin-6-ylthio)acetic acid methyl ester Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=NC=NC21

Isomeric SMILES

COC(=O)CSC1=NC=NC2=NC=NC21

InChI

InChI=1S/C8H8N4O2S/c1-14-5(13)2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4,6H,2H2,1H3