ethyl 4-(7H-purin-6-ylsulfanyl)butanoate

Systemtic Name: ethyl 4-(7H-purin-6-ylsulfanyl)butanoate Openeye Name: ethyl 4-(7H-purin-6-ylsulfanyl)butanoate CAS Name: 4-(7H-purin-6-ylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-(7H-purin-6-ylsulfanyl)butanoate Traditional Name: 4-(7H-purin-6-ylthio)butyric acid ethyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)CCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C11H14N4O2S/c1-2-17-8(16)4-3-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,2-5H2,1H3,(H,12,13,14,15)