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Home> Encyclopedia > Hot Product Listed 6   > 6,9-Epoxy-5H-imidazo[1,2-a]azepine-2-carboxamide,6,7,8,9-tetrahydro-7,8-dihydroxy-, (6R,7S,8R,9S)-
84170-66-1 structure

6,9-Epoxy-5H-imidazo[1,2-a]azepine-2-carboxamide,6,7,8,9-tetrahydro-7,8-dihydroxy-, (6R,7S,8R,9S)-

Iupac Name:6-ethenyl-2-methyl-1H-benzimidazole
CAS No.:84170-66-1
Molecular Weight:158.204
Molecular Formula:C5H9N3OS (isomer)
Names and Identifiers
Synonyms

1,5-[4-(aminocarbonyl)-1h-imidazole-2,1-diyl]-1,5-dideoxy-beta-d-ribofuranose 6,9-epoxy-5h-imidazo[1,2-a]azepine-2-carboxamide, 6,7,8,9-tetrahydro-7,8-dihydroxy-, (6r,7s,8r,9s)- (9ci)

Inchi
InChI=1S/C10H10N2/c1-3-8-4-5-9-10(6-8)12-7(2)11-9/h3-6H,1H2,2H3,(H,11,12)
InChkey
XQGJZRHBBKCOCJ-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(N1)C=C(C=C2)C=C
Computational chemical data
  • Molecular Weight:158.204g/mol
  • Molecular Formula:C5H9N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:158.084
  • Monoisotopic Mass:158.084
  • Complexity:179
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:28.7A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAiBHwAz0LbJkACg AyZiZACCgC2hEqAJmSAwdJiIaKLAmZGUIAhokALIyCcQgAAOCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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