3-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCCC(=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)