EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47692 - 2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate

ChEBI IDCHEBI:47692
ChEBI Name2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate
Stars
ASCII Name2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate
Last Modified24 October 2014
DownloadsMolfile
FormulaC23H26ClN7O2
Net Charge0
Average Mass467.961
Monoisotopic Mass467.18365
SMILES[H]c1c([H])c([H])c(C([H])([H])N(/N=N/c2c([H])c(-c3c(N([H])[H])nc(N([H])[H])nc3C([H])([H])C([H])([H])[H])c([H])c([H])c2Cl)C([H])([H])C([H])([H])OC(=O)C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
InChIKeyQKBISNUGIKKCIM-QVIHXGFCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate (CHEBI:47692) is a acetate ester (CHEBI:47622)
2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate (CHEBI:47692) is a aminopyrimidine (CHEBI:38338)
2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate (CHEBI:47692) is a monochlorobenzenes (CHEBI:83403)
2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate (CHEBI:47692) is a triazene derivative (CHEBI:72573)
Synonyms  Source
2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetatePDBeChem
ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTERPDBeChem
Manual XrefsDatabases
TABPDBeChem