2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[(4-thieno[2,3-d]pyrimidinylthio)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C16H9F3N4OS2 MolecularWeight: 394.39407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=NC2=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=NC2=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H9F3N4OS2/c17-16(18,19)8-1-2-9-11(5-8)22-12(23-13(9)24)6-26-15-10-3-4-25-14(10)20-7-21-15/h1-5,7H,6H2,(H,22,23,24)