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

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-6-propyl-pyrimidin-4-olate Formula: C10H13N2O3S- MolecularWeight: 241.28682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC(=O)O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCC(=O)O)[O-]

InChI

InChI=1S/C10H14N2O3S/c1-2-3-7-6-8(13)12-10(11-7)16-5-4-9(14)15/h6H,2-5H2,1H3,(H,14,15)(H,11,12,13)/p-1