2-(2-pyrimidin-4-ylethylsulfanyl)propanoate

Systemtic Name: 2-(2-pyrimidin-4-ylethylsulfanyl)propanoate Openeye Name: 2-(2-pyrimidin-4-ylethylsulfanyl)propanoate CAS Name: 2-[2-(4-pyrimidinyl)ethylthio]propanoate IUPAC Name: 2-(2-pyrimidin-4-ylethylsulfanyl)propanoate Traditional Name: 2-[2-(4-pyrimidyl)ethylthio]propionate Formula: C9H11N2O2S- MolecularWeight: 211.26084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCCC1=NC=NC=C1

Isomeric SMILES

CC(C(=O)[O-])SCCC1=NC=NC=C1

InChI

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