CHEBI:38050 - 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione

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ChEBI Name 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
ChEBI ID CHEBI:38050
ChEBI ASCII Name 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H3N7O3
Net Charge 0
Average Mass 221.13340
Monoisotopic Mass 221.02974
InChI InChI=1S/C6H3N7O3/c14-4-7-1-8-5(15)10-3-12-6(16)11-2(9-4)13(1)3/h(H3,7,8,9,10,11,12,14,15,16)
InChIKey PBKYCCOBOHDCIT-UHFFFAOYSA-N
SMILES O=c1nc2[nH]c(=O)nc3[nH]c(=O)[nH]c(n1)n23
ChEBI Ontology
Outgoing 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione (CHEBI:38050) is a cyameluric acid (CHEBI:38051)
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione (CHEBI:38050) is tautomer of 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,4H,7H)-trione (CHEBI:38052)
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione (CHEBI:38050) is tautomer of 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triol (CHEBI:38054)
Incoming 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,4H,7H)-trione (CHEBI:38052) is tautomer of 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione (CHEBI:38050)
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triol (CHEBI:38054) is tautomer of 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione (CHEBI:38050)
IUPAC Name
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Registry Number Type Source
1502-46-1 CAS Registry Number ChemIDplus
Last Modified
17 April 2007