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

Systemtic Name: 4-oxidanylidene-1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 4-oxo-1-phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 4-oxo-1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 4-oxo-1-phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C18H9F6N4O2S- MolecularWeight: 459.345079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=C2[O-])C(N=C(N3)C4=CC=CS4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=C2[O-])C(N=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