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

Systemtic Name: 2-[(5-heptyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-heptyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-heptyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-heptyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-heptyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C14H22N2O3S/c1-3-4-5-6-7-8-11-10(2)15-14(16-13(11)19)20-9-12(17)18/h3-9H2,1-2H3,(H,17,18)(H,15,16,19)