2-(6-methyl-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoic acid

Systemtic Name: 2-(6-methyl-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(6-methyl-4-oxo-3-pentyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-(6-methyl-4-oxo-3-pentyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid IUPAC Name: 2-(6-methyl-4-oxo-3-pentyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-(3-amyl-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=C(NC1=S)C)CC(=O)O

Isomeric SMILES

CCCCCN1C(=O)C(=C(NC1=S)C)CC(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-14-11(17)9(7-10(15)16)8(2)13-12(14)18/h3-7H2,1-2H3,(H,13,18)(H,15,16)