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

Systemtic Name: 1,7-diphenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1,7-diphenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1,7-diphenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1,7-diphenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1,7-diphenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C24H21F6N4O2+ MolecularWeight: 511.439559

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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)CCC4=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)CCC4=CC=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H20F6N4O2/c25-23(26,27)22(24(28,29)30)18-19(31-17(33-22)12-11-15-7-3-1-4-8-15)34(21(36)32-20(18)35)14-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,31,33)(H,32,35,36)/p+1