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

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-pyrimidin-5-ylidene)hexanoic acid Openeye Name: (2E)-2-(4-methyl-6-oxo-2-pentylsulfanyl-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(pentylthio)-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-pentylsulfanylpyrimidin-5-ylidene)hexanoic acid Traditional Name: (2E)-2-[2-(amylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(CCCC)C(=O)O)C(=N1)C

Isomeric SMILES

CCCCCSC1=NC(=O)/C(=C(\CCCC)/C(=O)O)/C(=N1)C

InChI

InChI=1S/C16H24N2O3S/c1-4-6-8-10-22-16-17-11(3)13(14(19)18-16)12(15(20)21)9-7-5-2/h4-10H2,1-3H3,(H,20,21)/b13-12+