methyl 4-pyrimidin-2-ylsulfanylbutanoate

Systemtic Name: methyl 4-pyrimidin-2-ylsulfanylbutanoate Openeye Name: methyl 4-pyrimidin-2-ylsulfanylbutanoate CAS Name: 4-(2-pyrimidinylthio)butanoic acid methyl ester IUPAC Name: methyl 4-pyrimidin-2-ylsulfanylbutanoate Traditional Name: 4-(2-pyrimidylthio)butyric acid methyl ester Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC=CC=N1

Isomeric SMILES

COC(=O)CCCSC1=NC=CC=N1

InChI

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