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

Systemtic Name: (2E)-2-(2-ethylsulfanyl-4-methyl-6-oxidanylidene-pyrimidin-5-ylidene)hexanoic acid Openeye Name: (2E)-2-(2-ethylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[2-(ethylthio)-4-methyl-6-oxo-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-(2-ethylsulfanyl-4-methyl-6-oxopyrimidin-5-ylidene)hexanoic acid Traditional Name: (2E)-2-[2-(ethylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-4-6-7-9(12(17)18)10-8(3)14-13(19-5-2)15-11(10)16/h4-7H2,1-3H3,(H,17,18)/b10-9+