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CHEBI:40343 - 7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium

ChEBI IDCHEBI:40343
ChEBI Name7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
Stars
ASCII Name7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H18F3N6O2
Net Charge+1
Average Mass455.420
Monoisotopic Mass455.14378
SMILES[H]c1c([H])c(C(=O)N([H])c2c([H])c([H])c(C([H])([H])[H])c(-n3c([H])c4c([H])nc(N([H])[H])nc4[n+](C([H])([H])[H])c3=O)c2[H])c([H])c(C(F)(F)F)c1[H]
InChIInChI=1S/C22H17F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-11,26H,1-2H3,(H,28,32)/p+1
InChIKeySQOIIWIQKKMCCG-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium (CHEBI:40343) is a monocarboxylic acid amide (CHEBI:29347)
7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium (CHEBI:40343) is a organofluorine compound (CHEBI:37143)
7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium (CHEBI:40343) is a pyrimidopyrimidine (CHEBI:48514)
Synonyms  Source
7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUMPDBeChem
7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-iumPDBeChem
Manual XrefsDatabases
7MPPDBeChem