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

Systemtic Name: 1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1-phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1-phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H11F6N4O2S+ MolecularWeight: 461.360959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=CS4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C([NH+]=C(N3)C4=CC=CS4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H10F6N4O2S/c19-17(20,21)16(18(22,23)24)11-13(25-12(27-16)10-7-4-8-31-10)28(15(30)26-14(11)29)9-5-2-1-3-6-9/h1-8H,(H,25,27)(H,26,29,30)/p+1