2-(2-carboxyethylsulfanyl)-6-propan-2-yl-pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-propan-2-yl-pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-6-isopropyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-propan-2-yl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-propan-2-ylpyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-6-isopropyl-pyrimidin-4-olate Formula: C10H13N2O3S- MolecularWeight: 241.28682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCCC(=O)O)[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCCC(=O)O)[O-]

InChI

InChI=1S/C10H14N2O3S/c1-6(2)7-5-8(13)12-10(11-7)16-4-3-9(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)/p-1