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

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-phenylpyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-6-phenyl-pyrimidin-4-olate Formula: C13H11N2O3S- MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)[O-]

InChI

InChI=1S/C13H12N2O3S/c16-11-8-10(9-4-2-1-3-5-9)14-13(15-11)19-7-6-12(17)18/h1-5,8H,6-7H2,(H,17,18)(H,14,15,16)/p-1