2-methyl-3-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid

Systemtic Name: 2-methyl-3-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Openeye Name: 2-methyl-3-(4-methyl-6-oxo-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid CAS Name: 2-methyl-3-[4-methyl-6-oxo-2-(pentylthio)-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 2-methyl-3-(4-methyl-6-oxo-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-[2-(amylthio)-4-keto-6-methyl-5H-pyrimidin-5-yl]-2-methyl-propionic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(C(=N1)C)CC(C)C(=O)O

Isomeric SMILES

CCCCCSC1=NC(=O)C(C(=N1)C)CC(C)C(=O)O

InChI

InChI=1S/C14H22N2O3S/c1-4-5-6-7-20-14-15-10(3)11(12(17)16-14)8-9(2)13(18)19/h9,11H,4-8H2,1-3H3,(H,18,19)