5-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H13F3N4OS2 MolecularWeight: 470.49003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C22H13F3N4OS2/c23-22(24,25)21-26-15-9-5-4-8-13(15)19(29-21)32-11-16-27-18(30)17-14(10-31-20(17)28-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,27,28,30)