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

ChEBI IDCHEBI:38050
ChEBI Name1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Stars
ASCII Name1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Last Modified17 April 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H3N7O3
Net Charge0
Average Mass221.136
Monoisotopic Mass221.02974
SMILESO=C1Nc2nc(=O)nc3nc(=O)nc(n23)N1
InChIInChI=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)
InChIKeyPBKYCCOBOHDCIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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-triol (CHEBI:38054)
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)
Incoming Relation(s)
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)
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)
IUPAC Name 
1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione
Registry NumbersSources
CAS:1502-46-1ChemIDplus