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4-[3-[1-(5-Methyl-2,4-dihydroxypyrimidinyl)]propylamino]-7-nitrobenzo-2-oxa-1,3-diazole
SpectraBase Compound ID 9g0RJ6Kt7XR
InChI InChI=1S/C14H14N6O5/c1-7-8(16-14(22)17-13(7)21)3-2-6-15-9-4-5-10(20(23)24)12-11(9)18-25-19-12/h4-5,15H,2-3,6H2,1H3,(H2,16,17,21,22)
InChIKey HADHLWIDKGFRIX-UHFFFAOYSA-N
Mol Weight 346.3 g/mol
Molecular Formula C14H14N6O5
Exact Mass 346.102568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUVHC110R4s
Name 4-[3-[1-(5-Methyl-2,4-dihydroxypyrimidinyl)]propylamino]-7-nitrobenzo-2-oxa-1,3-diazole
CAS Registry Number 54494-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N6O5
InChI InChI=1S/C14H14N6O5/c1-7-8(16-14(22)17-13(7)21)3-2-6-15-9-4-5-10(20(23)24)12-11(9)18-25-19-12/h4-5,15H,2-3,6H2,1H3,(H2,16,17,21,22)
InChIKey HADHLWIDKGFRIX-UHFFFAOYSA-N
Molecular Weight 346.303 g/mol
SMILES N(c1c2c(c(N(=O)=O)cc1)non2)CCCc1c(c(nc(n1)O)O)C
SPLASH splash10-001i-0931000000-f2fdfd3273352e4ab594
Source of Spectrum J-40-1561-0
Synonyms 5-Methyl-6-{3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]propyl}-2,4-pyrimidinediol
Wiley ID 1338919