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

Systemtic Name: 1,3-dimethyl-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1,3-dimethyl-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1,3-dimethyl-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1,3-dimethyl-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H17F6N4O2+ MolecularWeight: 435.343599

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)C([NH+]=C(N2)CCC3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)C([NH+]=C(N2)CCC3=CC=CC=C3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H16F6N4O2/c1-27-13-12(14(29)28(2)15(27)30)16(17(19,20)21,18(22,23)24)26-11(25-13)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,25,26)/p+1