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2-[[4-(1-azepanyl)-2,6-dimethoxy-5-pyrimidinyl]methylidene]propanedinitrile
SpectraBase Compound ID 5suXoH9XYaS
InChI InChI=1S/C16H19N5O2/c1-22-15-13(9-12(10-17)11-18)14(19-16(20-15)23-2)21-7-5-3-4-6-8-21/h9H,3-8H2,1-2H3
InChIKey RMZMAHAHEVJNRS-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C16H19N5O2
Exact Mass 313.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLGFoyoEmRz
Name 2-[[4-(1-azepanyl)-2,6-dimethoxy-5-pyrimidinyl]methylidene]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N5O2
InChI InChI=1S/C16H19N5O2/c1-22-15-13(9-12(10-17)11-18)14(19-16(20-15)23-2)21-7-5-3-4-6-8-21/h9H,3-8H2,1-2H3
InChIKey RMZMAHAHEVJNRS-UHFFFAOYSA-N
Molecular Weight 313.361 g/mol
SMILES c1(c(nc(nc1OC)OC)N1CCCCCC1)C=C(C#N)C#N
SPLASH splash10-00dj-0091000000-a6be4a6e857eece84cf1
Source of Spectrum F-54-931-4
Synonyms 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylene]malononitrile 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylene]propanedinitrile 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylidene]propanedinitrile
Wiley ID 805406