2-[[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[2-oxo-3-(trifluoromethyl)-1-pyridyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[2-oxo-3-(trifluoromethyl)pyridin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-3-(trifluoromethyl)-1-pyridyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C13H8F3N3O2S MolecularWeight: 327.28173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(F)(F)F)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(F)(F)F)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C13H8F3N3O2S/c14-13(15,16)7-2-1-4-19(12(7)21)6-9-17-8-3-5-22-10(8)11(20)18-9/h1-5H,6H2,(H,17,18,20)