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

Systemtic Name: 1-(4-fluorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-(4-fluorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-(4-fluorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-(4-fluorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-(4-fluorophenyl)-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C15H10F7N4O2+ MolecularWeight: 411.254322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(C2=C(N1)N(C(=O)NC2=O)C3=CC=C(C=C3)F)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=[NH+]C(C2=C(N1)N(C(=O)NC2=O)C3=CC=C(C=C3)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H9F7N4O2/c1-6-23-10-9(13(25-6,14(17,18)19)15(20,21)22)11(27)24-12(28)26(10)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,23,25)(H,24,27,28)/p+1