EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39831 - 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine

ChEBI IDCHEBI:39831
ChEBI Name4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine
Stars
ASCII Name4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine
Last Modified17 October 2009
DownloadsMolfile
FormulaC21H16N4O4
Net Charge0
Average Mass388.383
Monoisotopic Mass388.11715
SMILES[H]c1nc([H])n(-c2c([H])c([H])c(Oc3nc(Oc4c([H])c([H])c5c(c4[H])OC([H])([H])O5)c([H])c(C([H])([H])[H])n3)c([H])c2[H])c1[H]
InChIInChI=1S/C21H16N4O4/c1-14-10-20(28-17-6-7-18-19(11-17)27-13-26-18)24-21(23-14)29-16-4-2-15(3-5-16)25-9-8-22-12-25/h2-12H,13H2,1H3
InChIKeyQQBNDYARFVOEGW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine (CHEBI:39831) is a N-arylimidazole (CHEBI:46901)
4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine (CHEBI:39831) is a aryloxypyrimidine (CHEBI:48535)
4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine (CHEBI:39831) is a benzodioxoles (CHEBI:38298)
Synonyms  Source
4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINEPDBeChem
4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidinePDBeChem
Manual XrefsDatabases
391PDBeChem