2-(2-carboxyethylsulfanyl)-6-ethyl-pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-ethyl-pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-6-ethyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-ethyl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-ethylpyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-6-ethyl-pyrimidin-4-olate Formula: C9H11N2O3S- MolecularWeight: 227.26024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCCC(=O)O)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCCC(=O)O)[O-]

InChI

InChI=1S/C9H12N2O3S/c1-2-6-5-7(12)11-9(10-6)15-4-3-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)/p-1