2-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-butyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C11H16N2O3S/c1-3-4-5-8-7(2)12-11(13-10(8)16)17-6-9(14)15/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)