3-methyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 3-methyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 1-isobutyl-3-methyl-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]-5-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 1-isobutyl-2,4-diketo-3-methyl-6-[2-(trifluoromethyl)benzyl]thieno[2,3-d]pyrimidine-5-carboxylic acid Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC=C3C(F)(F)F)C(=O)O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC=C3C(F)(F)F)C(=O)O)C(=O)N(C1=O)C

InChI

InChI=1S/C20H19F3N2O4S/c1-10(2)9-25-17-15(16(26)24(3)19(25)29)14(18(27)28)13(30-17)8-11-6-4-5-7-12(11)20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,27,28)