1,3-dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1,3-dimethyl-7-(o-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1,3-dimethyl-7-(o-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H15F6N4O2+ MolecularWeight: 421.317019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=[NH+]C(C3=C(N2)N(C(=O)N(C3=O)C)C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=[NH+]C(C3=C(N2)N(C(=O)N(C3=O)C)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14F6N4O2/c1-8-6-4-5-7-9(8)11-24-12-10(13(28)27(3)14(29)26(12)2)15(25-11,16(18,19)20)17(21,22)23/h4-7H,1-3H3,(H,24,25)/p+1