hexyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: hexyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Openeye Name: hexyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid hexyl ester IUPAC Name: hexyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid hexyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CCCCCCOC(=O)CCCCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C16H26N4O2S/c1-2-3-4-6-9-22-13(21)8-5-7-10-23-16-14-15(18-11-17-14)19-12-20-16/h11-12,15-16H,2-10H2,1H3,(H,19,20)