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methyl 11-(7H-purin-6-ylsulfanyl)undecanoate

methyl 11-(7H-purin-6-ylsulfanyl)undecanoate

Systemtic Name:methyl 11-(7H-purin-6-ylsulfanyl)undecanoate
Openeye Name:methyl 11-(7H-purin-6-ylsulfanyl)undecanoate
CAS Name:11-(7H-purin-6-ylthio)undecanoic acid methyl ester
IUPAC Name:methyl 11-(7H-purin-6-ylsulfanyl)undecanoate
Traditional Name:11-(7H-purin-6-ylthio)undecanoic acid methyl ester
Formula: C17H26N4O2S
MolecularWeight: 350.47894
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCSC1=NC=NC2=C1NC=N2


Isomeric SMILES

COC(=O)CCCCCCCCCCSC1=NC=NC2=C1NC=N2


InChI

InChI=1S/C17H26N4O2S/c1-23-14(22)10-8-6-4-2-3-5-7-9-11-24-17-15-16(19-12-18-15)20-13-21-17/h12-13H,2-11H2,1H3,(H,18,19,20,21)


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