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

Systemtic Name: 7-phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 7-phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 7-phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 7-phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 7-phenethyl-1-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C22H17F6N4O2+ MolecularWeight: 483.386399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=[NH+]C(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCC2=[NH+]C(C3=C(N2)N(C(=O)NC3=O)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H16F6N4O2/c23-21(24,25)20(22(26,27)28)16-17(29-15(31-20)12-11-13-7-3-1-4-8-13)32(19(34)30-18(16)33)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,29,31)(H,30,33,34)/p+1