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7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione
SpectraBase Compound ID 1xo2HFqFtu8
InChI InChI=1S/C16H17N7O5/c1-20-13-12(14(25)21(2)16(20)26)22(7-8-24)15(18-13)19-17-9-10-3-5-11(6-4-10)23(27)28/h3-6,9,24H,7-8H2,1-2H3,(H,18,19)/b17-9+
InChIKey KERRDMUMOLTXIG-RQZCQDPDSA-N
Mol Weight 387.36 g/mol
Molecular Formula C16H17N7O5
Exact Mass 387.129117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pngTaFrjU8
Name 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione
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Formula C16H17N7O5
InChI InChI=1S/C16H17N7O5/c1-20-13-12(14(25)21(2)16(20)26)22(7-8-24)15(18-13)19-17-9-10-3-5-11(6-4-10)23(27)28/h3-6,9,24H,7-8H2,1-2H3,(H,18,19)/b17-9+
InChIKey KERRDMUMOLTXIG-RQZCQDPDSA-N
Molecular Weight 387.356 g/mol
SMILES OCC[n]1c2c(nc1N\N=C\c1ccc(N(=O)=O)cc1)N(C(N(C2=O)C)=O)C
SPLASH splash10-000f-9411000000-b39ee839f9a28445c2a3
Synonyms 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine
Wiley ID 1453498