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2,4,7(1H,3H,8H)-Pteridinetrione
SpectraBase Compound ID 5etKGyiZXyj
InChI InChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1H,(H3,8,9,10,11,12,13)
InChIKey BCVUYVOMXUKYFC-UHFFFAOYSA-N
Mol Weight 180.12 g/mol
Molecular Formula C6H4N4O3
Exact Mass 180.02834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RObGMN0ld0
Name 2,4,7(1H,3H,8H)-Pteridinetrione
CAS Registry Number 2577-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4N4O3
InChI InChI=1S/C6H4N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h1H,(H3,8,9,10,11,12,13)
InChIKey BCVUYVOMXUKYFC-UHFFFAOYSA-N
Molecular Weight 180.123 g/mol
SMILES Oc1c2c(nc(cn2)O)nc(n1)O
SPLASH splash10-001i-2900000000-730f935d0ad7c8419a31
Source of Spectrum O-3-1365-1
Synonyms 1,8-Dihydropteridine-2,4,7-trione 2,4,7-Pteridinetriol 2,4,7-Trihydroxypteridine 7-Hydroxylumazine Isoxantholumazine Lumazine, 7-hydroxy- Violapterin NSC 405591
Wiley ID 1175630