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

Systemtic Name: 2-cyclopropyl-4-(2-ethylsulfonylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-(2-ethylsulfonylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-(2-ethylsulfonylethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-(2-ethylsulfonylethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-(2-esylethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCSC1=NC(=NC(=C1C(=O)O)C)C2CC2

Isomeric SMILES

CCS(=O)(=O)CCSC1=NC(=NC(=C1C(=O)O)C)C2CC2

InChI

InChI=1S/C13H18N2O4S2/c1-3-21(18,19)7-6-20-12-10(13(16)17)8(2)14-11(15-12)9-4-5-9/h9H,3-7H2,1-2H3,(H,16,17)