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Home> Hot Product Listed 1   > 1,4-Dihydro-4-oxo-1-(trimethylsilyl)-2-[bis(trimethylsilyl)amino]-6-pteridinecarboxylic acid trimeth...
443923-56-6 structure

1,4-Dihydro-4-oxo-1-(trimethylsilyl)-2-[bis(trimethylsilyl)amino]-6-pteridinecarboxylic acid trimethylsilyl ester

Iupac Name:5-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]-1H-imidazole
CAS No.:443923-56-6
Molecular Weight:204.291
Molecular Formula:C27H24CLN2S+ (isomer)
Names and Identifiers
Synonyms

CTK8J2785 DTXSID10702609 trimethylsilyl 2-[bis(trimethylsilyl)amino]-4-oxo-1-(trimethylsilyl)-1,4-dihydropteridine-6-carboxylate

Inchi
InChI=1S/C11H12N2S/c1-2-10-5-6-11(14-10)4-3-9-7-12-8-13-9/h3-8H,2H2,1H3,(H,12,13)/b4-3+
InChkey
KSWKKJXRZAWAQY-ONEGZZNKSA-N
Canonical Smiles
CCC1=CC=C(S1)C=CC2=CN=CN2
Computational chemical data
  • Molecular Weight:204.291g/mol
  • Molecular Formula:C27H24CLN2S+
  • Compound Is Canonicalized:True
  • Exact Mass:204.072
  • Monoisotopic Mass:204.072
  • Complexity:206
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:56.9A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAAB4AAAHAQQAAAACAjBVgQ/kZbJkAik ATRnZACDgK2xGrBJ2Zg4cJiIaCLgGRCUAAAokAJoiCcAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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