7-(2-fluorophenyl)-1-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 7-(2-fluorophenyl)-1-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 7-(2-fluorophenyl)-1-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C21H14F7N4O2+ MolecularWeight: 487.350282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=CC=C4F)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=CC=C4F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F7N4O2/c22-13-9-5-4-8-12(13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,29,31)(H,30,33,34)/p+1