ethyl 2-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: ethyl 2-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: ethyl 2-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 2-(7H-purin-6-ylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 2-(7H-purin-6-ylthio)valeric acid ethyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C12H16N4O2S/c1-3-5-8(12(17)18-4-2)19-11-9-10(14-6-13-9)15-7-16-11/h6-8H,3-5H2,1-2H3,(H,13,14,15,16)