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Home> Hot Product Listed E   > ethyl 6-(5-bromo-2-methoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-ca...
868851-36-9 structure

ethyl 6-(5-bromo-2-methoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Iupac Name:5-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-4-carboxylic acid
CAS No.:868851-36-9
Molecular Weight:286.21
Molecular Formula:C21H23N3O4S (isomer)
Names and Identifiers
Synonyms

AC1MMJ5H AF-399/41899078 AK211327 AKOS001685335 AKOS016067694 CHEMBL1871267 ethyl 6-(5-bromo-2-methoxyphenyl)-8-methyl-4-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate ethyl 6-(5-bromo-2-methoxyphenyl)-8-methyl-4-oxo-2h,3h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate ethyl 6-(5-bromo-2-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate EU-0082997 HMS2159O10 HMS3353P22 MCULE-4022823634 MLS000085341 MLS000878813 MOLPORT-000-208-836 NCGC00046104-02 smr000020079 sr-01000113258 SR-01000113258-1 STK813057 tuqwalmyssjgny-uhfffaoysa-n

Inchi
InChI=1S/C12H9F3N2O3/c1-6-9(11(18)19)17-10(16-6)7-2-4-8(5-3-7)20-12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChkey
GYMIAEKZKVADAB-UHFFFAOYSA-N
Canonical Smiles
CC1=C(N=C(N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:286.21g/mol
  • Molecular Formula:C21H23N3O4S
  • Compound Is Canonicalized:True
  • Exact Mass:286.057
  • Monoisotopic Mass:286.057
  • Complexity:356
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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