2,5-dimethyl-4-[1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-[1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[[2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl]thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H16F3N3O3S2 MolecularWeight: 455.47385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SC(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SC(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H16F3N3O3S2/c1-8-13-16(23-10(3)24-17(13)30-14(8)18(27)28)29-9(2)15(26)25-12-6-4-5-11(7-12)19(20,21)22/h4-7,9H,1-3H3,(H,25,26)(H,27,28)