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

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-propylsulfanyl-pyrimidin-5-ylidene)hexanoic acid Openeye Name: (2E)-2-(4-methyl-6-oxo-2-propylsulfanyl-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(propylthio)-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-propylsulfanylpyrimidin-5-ylidene)hexanoic acid Traditional Name: (2E)-2-[4-keto-6-methyl-2-(propylthio)pyrimidin-5-ylidene]hexanoic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-6-7-10(13(18)19)11-9(3)15-14(16-12(11)17)20-8-5-2/h4-8H2,1-3H3,(H,18,19)/b11-10+