1,3-dimethyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(4-pyridin-1-iumyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H12F6N5O2+ MolecularWeight: 408.278499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=[NH+]C=C3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)C(N=C(N2)C3=CC=[NH+]C=C3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H11F6N5O2/c1-25-10-8(11(27)26(2)12(25)28)13(14(16,17)18,15(19,20)21)24-9(23-10)7-3-5-22-6-4-7/h3-6H,1-2H3,(H,23,24)/p+1