2-(pyrimidin-4-ylmethylsulfanyl)propanoate

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoate Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoate CAS Name: 2-(4-pyrimidinylmethylthio)propanoate IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoate Traditional Name: 2-(4-pyrimidylmethylthio)propionate Formula: C8H9N2O2S- MolecularWeight: 197.23426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=NC=NC=C1

Isomeric SMILES

CC(C(=O)[O-])SCC1=NC=NC=C1

InChI

InChI=1S/C8H10N2O2S/c1-6(8(11)12)13-4-7-2-3-9-5-10-7/h2-3,5-6H,4H2,1H3,(H,11,12)/p-1