4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CCS(=O)(=O)C2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CCS(=O)(=O)C2)C(=O)O)C

InChI

InChI=1S/C12H16N2O4S2/c1-3-9-13-7(2)10(12(15)16)11(14-9)19-8-4-5-20(17,18)6-8/h8H,3-6H2,1-2H3,(H,15,16)