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

Systemtic Name: ethyl 2-(7H-purin-6-ylsulfanyl)hexanoate Openeye Name: ethyl 2-(7H-purin-6-ylsulfanyl)hexanoate CAS Name: 2-(7H-purin-6-ylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-6-ylsulfanyl)hexanoate Traditional Name: 2-(7H-purin-6-ylthio)hexanoic acid ethyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)SC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCC(C(=O)OCC)SC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H18N4O2S/c1-3-5-6-9(13(18)19-4-2)20-12-10-11(15-7-14-10)16-8-17-12/h7-9H,3-6H2,1-2H3,(H,14,15,16,17)