ethyl 2-(5H-purin-6-ylsulfanyl)propanoate

Systemtic Name: ethyl 2-(5H-purin-6-ylsulfanyl)propanoate Openeye Name: ethyl 2-(5H-purin-6-ylsulfanyl)propanoate CAS Name: 2-(5H-purin-6-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-(5H-purin-6-ylsulfanyl)propanoate Traditional Name: 2-(5H-purin-6-ylthio)propionic acid ethyl ester Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC=NC2=NC=NC21

Isomeric SMILES

CCOC(=O)C(C)SC1=NC=NC2=NC=NC21

InChI

InChI=1S/C10H12N4O2S/c1-3-16-10(15)6(2)17-9-7-8(12-4-11-7)13-5-14-9/h4-7H,3H2,1-2H3