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

Systemtic Name: 4-oxidanylidene-1-phenyl-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 4-oxo-1-phenyl-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 4-oxo-1-phenyl-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 4-oxo-1-phenyl-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-phenyl-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H10F6N5O2- MolecularWeight: 454.305419

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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=NC=C4)(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=NC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H11F6N5O2/c20-18(21,22)17(19(23,24)25)12-14(27-13(29-17)10-6-8-26-9-7-10)30(16(32)28-15(12)31)11-4-2-1-3-5-11/h1-9H,(H,27,29)(H,28,31,32)/p-1