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

Systemtic Name: ethyl 2-(7H-purin-6-ylsulfanyl)butanoate Openeye Name: ethyl 2-(7H-purin-6-ylsulfanyl)butanoate CAS Name: 2-(7H-purin-6-ylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-6-ylsulfanyl)butanoate Traditional Name: 2-(7H-purin-6-ylthio)butyric acid ethyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O2S/c1-3-7(11(16)17-4-2)18-10-8-9(13-5-12-8)14-6-15-10/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)