2-(2-carboxyethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-(3-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-(3-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-6-(3-methoxyphenyl)pyrimidin-4-olate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCC(=O)O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCC(=O)O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-20-10-4-2-3-9(7-10)11-8-12(17)16-14(15-11)21-6-5-13(18)19/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,15,16,17)/p-1