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

Systemtic Name: 2-methyl-3-(4-methyl-6-oxidanylidene-2-prop-2-enylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Openeye Name: 3-(2-allylsulfanyl-4-methyl-6-oxo-5H-pyrimidin-5-yl)-2-methyl-propanoic acid CAS Name: 2-methyl-3-[4-methyl-6-oxo-2-(prop-2-enylthio)-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 2-methyl-3-(4-methyl-6-oxo-2-prop-2-enylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-[2-(allylthio)-4-keto-6-methyl-5H-pyrimidin-5-yl]-2-methyl-propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-4-5-18-12-13-8(3)9(10(15)14-12)6-7(2)11(16)17/h4,7,9H,1,5-6H2,2-3H3,(H,16,17)