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

Systemtic Name: 4-(2-ethylsulfonylethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-ethylsulfonylethylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-ethylsulfonylethylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-ethylsulfonylethylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-esylethylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)CCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C13H20N2O4S2/c1-5-21(18,19)7-6-20-12-10(13(16)17)9(4)14-11(15-12)8(2)3/h8H,5-7H2,1-4H3,(H,16,17)