2-[6-methyl-2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: 2-[6-methyl-2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoate Openeye Name: 2-[6-methyl-2-(2-methylallylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]acetate CAS Name: 2-[6-methyl-2-(2-methylprop-2-enylthio)-4-oxo-1H-pyrimidin-5-yl]acetate IUPAC Name: 2-[6-methyl-2-(2-methylprop-2-enylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-6-methyl-2-(2-methylallylthio)-1H-pyrimidin-5-yl]acetate Formula: C11H13N2O3S- MolecularWeight: 253.29752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=C)C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=C)C)CC(=O)[O-]

InChI

InChI=1S/C11H14N2O3S/c1-6(2)5-17-11-12-7(3)8(4-9(14)15)10(16)13-11/h1,4-5H2,2-3H3,(H,14,15)(H,12,13,16)/p-1