hexyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: hexyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: hexyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid hexyl ester IUPAC Name: hexyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid hexyl ester Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCCCOC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C16H24N4O2S/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/h11-12H,2-10H2,1H3,(H,17,18,19,20)