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

Systemtic Name: propyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: propyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid propyl ester IUPAC Name: propyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid propyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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