1-(4-methylphenyl)-4-oxidanylidene-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1-(4-methylphenyl)-4-oxidanylidene-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 4-oxo-1-(p-tolyl)-7-(3-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(4-methylphenyl)-4-oxo-7-(3-pyridinyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(4-methylphenyl)-4-oxo-7-pyridin-3-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-(p-tolyl)-7-(3-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H12F6N5O2- MolecularWeight: 468.331999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=C2[O-])C(N=C(N3)C4=CN=CC=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=C2[O-])C(N=C(N3)C4=CN=CC=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N5O2/c1-10-4-6-12(7-5-10)31-15-13(16(32)29-17(31)33)18(19(21,22)23,20(24,25)26)30-14(28-15)11-3-2-8-27-9-11/h2-9H,1H3,(H,28,30)(H,29,32,33)/p-1