EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85558 - 2-imino-1,2,3,4-tetrahydroquinazolin-4-one

ChEBI IDCHEBI:85558
ChEBI Name2-imino-1,2,3,4-tetrahydroquinazolin-4-one
Stars
DefinitionA member of the class of quinazolines that is 1,2,3,4-tetrahydroquinazoline in which the hydrogens at positions 2 and 4 have been replaced by imino and oxo groups, respectively.
Last Modified28 April 2015
Submitterkalra
DownloadsMolfile
FormulaC8H7N3O
Net Charge0
Average Mass161.164
Monoisotopic Mass161.05891
SMILESN=c1nc(=O)c2ccccc2n1
InChIInChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChIKeySDTFBAXSPXZDKC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-imino-1,2,3,4-tetrahydroquinazolin-4-one (CHEBI:85558) is a quinazolines (CHEBI:38530)
IUPAC Name 
2-imino-2,3-dihydroquinazolin-4(1H)-one
Synonyms  Source
2-amino-3H-quinazolin-4-oneChEBI
NCI 51782ChEBI
2-aminoquinazolin-4-olChEBI
Registry NumbersSources
Reaxys:608531Reaxys