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

Systemtic Name: 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)propanoic acid CAS Name: 3-[4-methyl-6-oxo-2-(prop-2-enylthio)-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 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]propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-3-6-17-11-12-7(2)8(10(16)13-11)4-5-9(14)15/h3,8H,1,4-6H2,2H3,(H,14,15)