methyl 3-pyrimidin-2-ylsulfanylbutanoate

Systemtic Name: methyl 3-pyrimidin-2-ylsulfanylbutanoate Openeye Name: methyl 3-pyrimidin-2-ylsulfanylbutanoate CAS Name: 3-(2-pyrimidinylthio)butanoic acid methyl ester IUPAC Name: methyl 3-pyrimidin-2-ylsulfanylbutanoate Traditional Name: 3-(2-pyrimidylthio)butyric acid methyl ester Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=NC=CC=N1

Isomeric SMILES

CC(CC(=O)OC)SC1=NC=CC=N1

InChI

InChI=1S/C9H12N2O2S/c1-7(6-8(12)13-2)14-9-10-4-3-5-11-9/h3-5,7H,6H2,1-2H3