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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

InChI

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