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

Systemtic Name: methyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: methyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid methyl ester IUPAC Name: methyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid methyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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