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

Systemtic Name: 2-[(6-methyl-5-octyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-methyl-5-octyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-methyl-5-octyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(6-methyl-5-octyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-6-methyl-5-octyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)SCC(=O)O)C

InChI

InChI=1S/C15H24N2O3S/c1-3-4-5-6-7-8-9-12-11(2)16-15(17-14(12)20)21-10-13(18)19/h3-10H2,1-2H3,(H,18,19)(H,16,17,20)