2-(pyrimidin-4-ylmethylsulfanyl)ethyl butanoate

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl butanoate Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl butanoate CAS Name: butanoic acid 2-(4-pyrimidinylmethylthio)ethyl ester IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)ethyl butanoate Traditional Name: butyric acid 2-(4-pyrimidylmethylthio)ethyl ester Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCSCC1=NC=NC=C1

Isomeric SMILES

CCCC(=O)OCCSCC1=NC=NC=C1

InChI

InChI=1S/C11H16N2O2S/c1-2-3-11(14)15-6-7-16-8-10-4-5-12-9-13-10/h4-5,9H,2-3,6-8H2,1H3