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4-Amino-2-allylthio-6-benzylthio-5-cyano-pyrimidine
SpectraBase Compound ID K7QgPa8QXoC
InChI InChI=1S/C15H14N4S2/c1-2-8-20-15-18-13(17)12(9-16)14(19-15)21-10-11-6-4-3-5-7-11/h2-7H,1,8,10H2,(H2,17,18,19)
InChIKey STLUCVOIAOQFMB-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C15H14N4S2
Exact Mass 314.065989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMJ3lwcRHAL
Name 4-Amino-2-allylthio-6-benzylthio-5-cyano-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N4S2
InChI InChI=1S/C15H14N4S2/c1-2-8-20-15-18-13(17)12(9-16)14(19-15)21-10-11-6-4-3-5-7-11/h2-7H,1,8,10H2,(H2,17,18,19)
InChIKey STLUCVOIAOQFMB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200990139
Molecular Weight 314.425 g/mol
SMILES Nc1nc(nc(c1C#N)SCc1ccccc1)SCC=C
SPLASH splash10-0006-9012000000-222784ebb4161dc2cc23
Source of Spectrum CJC-27-837-3p
Synonyms 2-(allylthio)-4-amino-6-(benzylthio)pyrimidine-5-carbonitrile
Wiley ID 1772322