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2-(pyrimidin-4-ylmethylsulfanyl)ethanoate

2-(pyrimidin-4-ylmethylsulfanyl)ethanoate

Systemtic Name:2-(pyrimidin-4-ylmethylsulfanyl)ethanoate
Openeye Name:2-(pyrimidin-4-ylmethylsulfanyl)acetate
CAS Name:2-(4-pyrimidinylmethylthio)acetate
IUPAC Name:2-(pyrimidin-4-ylmethylsulfanyl)acetate
Traditional Name:2-(4-pyrimidylmethylthio)acetate
Formula: C7H7N2O2S-
MolecularWeight: 183.20768
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1CSCC(=O)[O-]


Isomeric SMILES

C1=CN=CN=C1CSCC(=O)[O-]


InChI

InChI=1S/C7H8N2O2S/c10-7(11)4-12-3-6-1-2-8-5-9-6/h1-2,5H,3-4H2,(H,10,11)/p-1


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