4-[(E)-but-2-enyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(E)-but-2-enyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(E)-but-2-enyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[(E)-but-2-enyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(E)-but-2-enyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[(E)-but-2-enyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC=CC)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC/C=C/C)C(=O)O)C

InChI

InChI=1S/C12H16N2O2S/c1-4-6-7-17-11-10(12(15)16)8(3)13-9(5-2)14-11/h4,6H,5,7H2,1-3H3,(H,15,16)/b6-4+