methyl 3-(pyrimidin-4-ylmethylsulfanyl)propanoate

Systemtic Name: methyl 3-(pyrimidin-4-ylmethylsulfanyl)propanoate Openeye Name: methyl 3-(pyrimidin-4-ylmethylsulfanyl)propanoate CAS Name: 3-(4-pyrimidinylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(pyrimidin-4-ylmethylsulfanyl)propanoate Traditional Name: 3-(4-pyrimidylmethylthio)propionic acid methyl ester Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=NC=NC=C1

Isomeric SMILES

COC(=O)CCSCC1=NC=NC=C1

InChI

InChI=1S/C9H12N2O2S/c1-13-9(12)3-5-14-6-8-2-4-10-7-11-8/h2,4,7H,3,5-6H2,1H3