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4-Amino-6-benzylthio-2-n-cetylthio-5-cyano-pyrimidine
SpectraBase Compound ID 5yJIEw1Yhnu
InChI InChI=1S/C28H42N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-33-28-31-26(30)25(22-29)27(32-28)34-23-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21,23H2,1H3,(H2,30,31,32)
InChIKey UDHKILRNKRWWEI-UHFFFAOYSA-N
Mol Weight 498.8 g/mol
Molecular Formula C28H42N4S2
Exact Mass 498.28509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0tA4x4wNdO
Name 4-Amino-6-benzylthio-2-n-cetylthio-5-cyano-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N4S2
InChI InChI=1S/C28H42N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-33-28-31-26(30)25(22-29)27(32-28)34-23-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21,23H2,1H3,(H2,30,31,32)
InChIKey UDHKILRNKRWWEI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200990139
Molecular Weight 498.792 g/mol
SMILES Nc1nc(nc(c1C#N)SCc1ccccc1)SCCCCCCCCCCCCCCCC
SPLASH splash10-0006-9003300000-c9522c71bf004790138b
Source of Spectrum CJC-27-837-3m
Synonyms 4-Amino-6-(benzylthio)-2-(hexadecylthio)pyrimidine-5-carbonitrile
Wiley ID 1772319