6,8-bis(bromanyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C14H7Br2F3N4OS MolecularWeight: 496.09979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C(F)(F)F)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

C1=CN=C(N=C1C(F)(F)F)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C14H7Br2F3N4OS/c15-6-3-7-11(8(16)4-6)22-10(23-12(7)24)5-25-13-20-2-1-9(21-13)14(17,18)19/h1-4H,5H2,(H,22,23,24)