(2E)-2-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hexanoic acid

Systemtic Name: (2E)-2-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]hexanoic acid Openeye Name: (2E)-2-(2-isobutylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)hexanoic acid CAS Name: (2E)-2-[4-methyl-2-(2-methylpropylthio)-6-oxo-5-pyrimidinylidene]hexanoic acid IUPAC Name: (2E)-2-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxopyrimidin-5-ylidene]hexanoic acid Traditional Name: (2E)-2-[2-(isobutylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]hexanoic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-5-6-7-11(14(19)20)12-10(4)16-15(17-13(12)18)21-8-9(2)3/h9H,5-8H2,1-4H3,(H,19,20)/b12-11+