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

Systemtic Name: 1-(2-fluorophenyl)-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-(2-fluorophenyl)-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(2-fluorophenyl)-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(2-fluorophenyl)-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-(2-fluorophenyl)-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C21H14F7N4O3+ MolecularWeight: 503.349682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4F)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F7N4O3/c1-35-11-8-6-10(7-9-11)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-5-3-2-4-12(13)22/h2-9H,1H3,(H,29,31)(H,30,33,34)/p+1