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CHEBI:120707 - 1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine

ChEBI IDCHEBI:120707
ChEBI Name1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
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FormulaC13H12F3N5O2
Net Charge0
Average Mass327.266
Monoisotopic Mass327.09431
SMILESCOc1cccc(NC(N)=Nc2nc(C(F)(F)F)cc(=O)n2)c1
InChIInChI=1S/C13H12F3N5O2/c1-23-8-4-2-3-7(5-8)18-11(17)21-12-19-9(13(14,15)16)6-10(22)20-12/h2-6H,1H3,(H4,17,18,19,20,21,22)
InChIKeyVWRFVKYVVDZESE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine (CHEBI:120707) is a methoxybenzenes (CHEBI:51683)
1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine (CHEBI:120707) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-32149LINCS