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CHEBI:64550 - fumiquinazoline F

ChEBI IDCHEBI:64550
ChEBI Namefumiquinazoline F
Stars
DefinitionA fumiquinazoline that consists of pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione bearing a methyl substituent at position 1 and an indol-3-yl group at position 4.
Last Modified10 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC21H18N4O2
Net Charge0
Average Mass358.401
Monoisotopic Mass358.14298
SMILESC[C@@H]1NC(=O)[C@@H](Cc2cnc3ccccc23)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
InChIKeySUVZUTHVKIBYOH-KPZWWZAWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
fumiquinazoline F (CHEBI:64550) is a fumiquinazoline (CHEBI:64545)
fumiquinazoline F (CHEBI:64550) is a indoles (CHEBI:24828)
fumiquinazoline F (CHEBI:64550) is a pyrazinoquinazoline (CHEBI:64548)
IUPAC Name 
(1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione
Registry NumbersSources
Reaxys:7417628Reaxys
Citations