(2E)-2-(4-methyl-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-5-ylidene)hexanoic acid

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-5-ylidene)hexanoic acid Openeye Name: (2E)-2-(2-allylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(prop-2-enylthio)-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-prop-2-enylsulfanylpyrimidin-5-ylidene)hexanoic acid Traditional Name: (2E)-2-[2-(allylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=NC(=NC1=O)SCC=C)C)C(=O)O

Isomeric SMILES

CCCC/C(=C\1/C(=NC(=NC1=O)SCC=C)C)/C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-4-6-7-10(13(18)19)11-9(3)15-14(16-12(11)17)20-8-5-2/h5H,2,4,6-8H2,1,3H3,(H,18,19)/b11-10+