2-methyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-methyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-methyl-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-2-methyl-propionic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(C)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(C)C(=O)O

InChI

InChI=1S/C11H16N2O3S/c1-3-4-8-5-9(14)13-11(12-8)17-6-7(2)10(15)16/h5,7H,3-4,6H2,1-2H3,(H,15,16)(H,12,13,14)