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

Systemtic Name: 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)propanoic acid CAS Name: 3-[4-methyl-2-(3-methylbutylthio)-6-oxo-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 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]propionic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1CCC(=O)O)SCCC(C)C

Isomeric SMILES

CC1=NC(=NC(=O)C1CCC(=O)O)SCCC(C)C

InChI

InChI=1S/C13H20N2O3S/c1-8(2)6-7-19-13-14-9(3)10(12(18)15-13)4-5-11(16)17/h8,10H,4-7H2,1-3H3,(H,16,17)