5-methyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[3-(trifluoromethyl)benzyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H10F3N2O3S- MolecularWeight: 367.32241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C16H11F3N2O3S/c1-7-11-13(22)20-10(21-14(11)25-12(7)15(23)24)6-8-3-2-4-9(5-8)16(17,18)19/h2-5H,6H2,1H3,(H,23,24)(H,20,21,22)/p-1