6-tert-butyl-2-(2-carboxyethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-tert-butyl-2-(2-carboxyethylsulfanyl)pyrimidin-4-olate Openeye Name: 6-tert-butyl-2-(2-carboxyethylsulfanyl)pyrimidin-4-olate CAS Name: 6-tert-butyl-2-(2-carboxyethylthio)-4-pyrimidinolate IUPAC Name: 6-tert-butyl-2-(2-carboxyethylsulfanyl)pyrimidin-4-olate Traditional Name: 6-tert-butyl-2-(2-carboxyethylthio)pyrimidin-4-olate Formula: C11H15N2O3S- MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O3S/c1-11(2,3)7-6-8(14)13-10(12-7)17-5-4-9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)/p-1