(2E)-2-(2-butylsulfanyl-4-methyl-6-oxidanylidene-pyrimidin-5-ylidene)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(C)C(=O)O)C(=N1)C

Isomeric SMILES

CCCCSC1=NC(=O)/C(=C(\C)/C(=O)O)/C(=N1)C

InChI

InChI=1S/C12H16N2O3S/c1-4-5-6-18-12-13-8(3)9(10(15)14-12)7(2)11(16)17/h4-6H2,1-3H3,(H,16,17)/b9-7+