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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H18N4O2S/c1-2-19-10(18)6-4-3-5-7-20-13-11-12(15-8-14-11)16-9-17-13/h8-9H,2-7H2,1H3,(H,14,15,16,17)