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4-Amino-6-benzylthio-5-cyano-2-methylthio-pyrimidine
SpectraBase Compound ID 3ZByTzbym0x
InChI InChI=1S/C13H12N4S2/c1-18-13-16-11(15)10(7-14)12(17-13)19-8-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,15,16,17)
InChIKey ICKKKPPDFDOGFY-UHFFFAOYSA-N
Mol Weight 288.39 g/mol
Molecular Formula C13H12N4S2
Exact Mass 288.050339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nfiUETYvoU
Name 4-Amino-6-benzylthio-5-cyano-2-methylthio-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4S2
InChI InChI=1S/C13H12N4S2/c1-18-13-16-11(15)10(7-14)12(17-13)19-8-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,15,16,17)
InChIKey ICKKKPPDFDOGFY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200990139
Molecular Weight 288.387 g/mol
SMILES Nc1nc(nc(c1C#N)SCc1ccccc1)SC
SPLASH splash10-0006-9020000000-51194222cb22560bdc28
Source of Spectrum CJC-27-836-3i
Synonyms 4-Amino-6-(benzylthio)-2-(methylthio)pyrimidine-5-carbonitrile
Wiley ID 1772316