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Home> Hot Product Listed 4   > 4,6(1H,5H)-Pyrimidinedione,5-[2-(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-d...
1179360-44-1 structure

4,6(1H,5H)-Pyrimidinedione,5-[2-(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-

Iupac Name:1,6-naphthyridine-2-carboximidamide;hydrochloride
CAS No.:1179360-44-1
Molecular Weight:208.649
Molecular Formula:C24H23NO2 (isomer)
Names and Identifiers
Synonyms

4,6(1H,5H)-Pyrimidinedione,5-[(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-(9CI)

Inchi
InChI=1S/C9H8N4.ClH/c10-9(11)8-2-1-6-5-12-4-3-7(6)13-8;/h1-5H,(H3,10,11);1H
InChkey
BXXXFOITPZXWFP-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=NC2=C1C=NC=C2)C(=N)N.Cl
Properties
Density
1.15
Computational chemical data
  • Molecular Weight:208.649g/mol
  • Molecular Formula:C24H23NO2
  • Compound Is Canonicalized:True
  • Exact Mass:208.052
  • Monoisotopic Mass:208.052
  • Complexity:204
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:14
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBzgAAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAACx+AAAHAAQAAAADAjBHgQ9wPJIEACg AzZnZACCgCCxAiAI2CA4ZJgIYOLA0dGUJAhggADIyAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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