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

Systemtic Name: (2E)-2-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxidanylidene-pyrimidin-5-ylidene]propanoic acid Openeye Name: (2E)-2-(2-isobutylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)propanoic acid CAS Name: (2E)-2-[4-methyl-2-(2-methylpropylthio)-6-oxo-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-[4-methyl-2-(2-methylpropylsulfanyl)-6-oxopyrimidin-5-ylidene]propanoic acid Traditional Name: (2E)-2-[2-(isobutylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]propionic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1=C(C)C(=O)O)SCC(C)C

Isomeric SMILES

CC\1=NC(=NC(=O)/C1=C(\C)/C(=O)O)SCC(C)C

InChI

InChI=1S/C12H16N2O3S/c1-6(2)5-18-12-13-8(4)9(10(15)14-12)7(3)11(16)17/h6H,5H2,1-4H3,(H,16,17)/b9-7+