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CHEBI:42591 - 2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate

ChEBI IDCHEBI:42591
ChEBI Name2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H13F3N4O4PS
Net Charge-1
Average Mass397.295
Monoisotopic Mass397.03527
SMILES[H]c1nc(C(F)(F)F)nc(N([H])[H])c1C([H])([H])[n+]1c([H])sc(C([H])([H])C([H])([H])OP(=O)([O-])[O-])c1C([H])([H])[H]
InChIInChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1
InChIKeyZIBIECXVPMYJCV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate (CHEBI:42591) is a 1,3-thiazoles (CHEBI:38418)
2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate (CHEBI:42591) is a aminopyrimidine (CHEBI:38338)
2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate (CHEBI:42591) is a monoalkyl phosphate (CHEBI:25381)
2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate (CHEBI:42591) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUMPDBeChem
2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphatePDBeChem
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