2-methyl-3-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxidanylidene-5H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 2-methyl-3-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxidanylidene-5H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-(2-isopentylsulfanyl-4-methyl-6-oxo-5H-pyrimidin-5-yl)-2-methyl-propanoic acid CAS Name: 2-methyl-3-[4-methyl-2-(3-methylbutylthio)-6-oxo-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 2-methyl-3-[4-methyl-2-(3-methylbutylsulfanyl)-6-oxo-5H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-(isoamylthio)-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:

CC1=NC(=NC(=O)C1CC(C)C(=O)O)SCCC(C)C

Isomeric SMILES

CC1=NC(=NC(=O)C1CC(C)C(=O)O)SCCC(C)C

InChI

InChI=1S/C14H22N2O3S/c1-8(2)5-6-20-14-15-10(4)11(12(17)16-14)7-9(3)13(18)19/h8-9,11H,5-7H2,1-4H3,(H,18,19)