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

Systemtic Name: ethyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: ethyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-2-18-9(17)5-3-4-6-19-12-10-11(14-7-13-10)15-8-16-12/h7-8H,2-6H2,1H3,(H,13,14,15,16)