2-ethyl-4-(2-ethylsulfonylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-(2-ethylsulfonylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-(2-ethylsulfonylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-(2-ethylsulfonylethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-(2-ethylsulfonylethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-esylethylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-4-9-13-8(3)10(12(15)16)11(14-9)19-6-7-20(17,18)5-2/h4-7H2,1-3H3,(H,15,16)