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

Systemtic Name: 7-(4-fluorophenyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 7-(4-fluorophenyl)-1-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 7-(4-fluorophenyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 7-(4-fluorophenyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 7-(4-fluorophenyl)-1-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H16F7N4O2+ MolecularWeight: 453.334062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)C([NH+]=C(N2)C3=CC=C(C=C3)F)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)C([NH+]=C(N2)C3=CC=C(C=C3)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15F7N4O2/c1-8(2)7-29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)9-3-5-10(19)6-4-9/h3-6,8H,7H2,1-2H3,(H,26,28)(H,27,30,31)/p+1