CHEBI:111205 - 1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

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ChEBI Name 1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
ChEBI ID CHEBI:111205
Stars This entity has been manually annotated by a third party.
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Formulae C21H13F7N4O2
C21H13F7N4O2
Net Charge 0
Average Mass 486.343
Monoisotopic Mass 486.09267
InChI InChI=1S/C21H13F7N4O2/c1-10-2-4-11(5-3-10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)13-8-6-12(22)7-9-13/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey UVWNKIZDVOMCKS-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)C4=CC=C(C=C4)F)(C(F)(F)F)C(F)(F)F
ChEBI Ontology
Outgoing 1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione (CHEBI:111205) is a monofluorobenzenes (CHEBI:83575)
1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione (CHEBI:111205) is a pyrimidopyrimidine (CHEBI:48514)
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Last Modified
07 April 2016