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

Systemtic Name: 1-(4-methoxyphenyl)-4-oxidanylidene-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-(4-methoxyphenyl)-4-oxo-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(4-methoxyphenyl)-4-oxo-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(4-methoxyphenyl)-4-oxo-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-(4-methoxyphenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H11F6N4O3S- MolecularWeight: 489.371059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C19H12F6N4O3S/c1-32-10-6-4-9(5-7-10)29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)11-3-2-8-33-11/h2-8H,1H3,(H,26,28)(H,27,30,31)/p-1