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4-Amino-6-benzylthio-2-n-butylthio-5-cyano-pyrimidine
SpectraBase Compound ID BgUreairaMs
InChI InChI=1S/C16H18N4S2/c1-2-3-9-21-16-19-14(18)13(10-17)15(20-16)22-11-12-7-5-4-6-8-12/h4-8H,2-3,9,11H2,1H3,(H2,18,19,20)
InChIKey XMTLFYUSJNWRQH-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C16H18N4S2
Exact Mass 330.097289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmBZkG6ytdq
Name 4-Amino-6-benzylthio-2-n-butylthio-5-cyano-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4S2
InChI InChI=1S/C16H18N4S2/c1-2-3-9-21-16-19-14(18)13(10-17)15(20-16)22-11-12-7-5-4-6-8-12/h4-8H,2-3,9,11H2,1H3,(H2,18,19,20)
InChIKey XMTLFYUSJNWRQH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200990139
Molecular Weight 330.468 g/mol
SMILES Nc1nc(nc(c1C#N)SCc1ccccc1)SCCCC
SPLASH splash10-0006-9002000000-4403b00dcaef006e9bf7
Source of Spectrum CJC-27-837-3k
Synonyms 4-Amino-6-(benzylthio)-2-(butylthio)pyrimidine-5-carbonitrile
Wiley ID 1772318