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4-Amino-2-n-cetylthio-5-cyano-6-methylthiopyrimidine
SpectraBase Compound ID 74COc2kxHPv
InChI InChI=1S/C22H38N4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-22-25-20(24)19(18-23)21(26-22)27-2/h3-17H2,1-2H3,(H2,24,25,26)
InChIKey YMBLNZAHQLWTPV-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C22H38N4S2
Exact Mass 422.25379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gJ8P6E6f3I
Name 4-Amino-2-n-cetylthio-5-cyano-6-methylthiopyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38N4S2
InChI InChI=1S/C22H38N4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-22-25-20(24)19(18-23)21(26-22)27-2/h3-17H2,1-2H3,(H2,24,25,26)
InChIKey YMBLNZAHQLWTPV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200990139
Molecular Weight 422.694 g/mol
SMILES Nc1nc(nc(c1C#N)SC)SCCCCCCCCCCCCCCCC
SPLASH splash10-0006-9100100000-c0dfcd517df9a6636d7e
Source of Spectrum CJC-27-836-3e
Synonyms 4-Amino-2-(hexadecylthio)-6-(methylthio)pyrimidine-5-carbonitrile 4-Amino-2-(hexadecylthio)-6-(methylthio)-5-pyrimidinecarbonitrile 4-Amino-2-hexadecylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile 4-Amino-2-hexadecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-Azanyl-2-hexadecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
Wiley ID 1772314