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

Systemtic Name: ethyl 2-(7H-purin-6-ylsulfanyl)ethanoate Openeye Name: ethyl 2-(7H-purin-6-ylsulfanyl)acetate CAS Name: 2-(7H-purin-6-ylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-6-ylsulfanyl)acetate Traditional Name: 2-(7H-purin-6-ylthio)acetic acid ethyl ester Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S/c1-2-15-6(14)3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5H,2-3H2,1H3,(H,10,11,12,13)