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

Systemtic Name: 7-(4-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 7-(4-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 7-(4-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 7-(4-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 7-(4-chlorophenyl)-1-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C20H11ClF7N4O2+ MolecularWeight: 507.768762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=C(C=C4)Cl)(C(F)(F)F)C(F)(F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=C(C=C4)Cl)(C(F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C20H10ClF7N4O2/c21-10-7-5-9(6-8-10)14-29-15-13(18(31-14,19(23,24)25)20(26,27)28)16(33)30-17(34)32(15)12-4-2-1-3-11(12)22/h1-8H,(H,29,31)(H,30,33,34)/p+1