2-[bis(fluoranyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-(difluoromethylsulfanyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-(difluoromethylthio)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-(difluoromethylsulfanyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(difluoromethylthio)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C9H6F2N2O3S2 MolecularWeight: 292.282346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SC(F)F)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SC(F)F)C(=O)O

InChI

InChI=1S/C9H6F2N2O3S2/c1-2-3-5(14)12-9(18-8(10)11)13-6(3)17-4(2)7(15)16/h8H,1H3,(H,15,16)(H,12,13,14)