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5-Amino-1-(4-methylbenzylideneamino)-6-imino-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
SpectraBase Compound ID 1Nx7wLPBImD
InChI InChI=1S/C13H12N6S/c1-8-2-4-9(5-3-8)7-17-19-12(16)11(15)10(6-14)18-13(19)20/h2-5,7,16H,15H2,1H3,(H,18,20)
InChIKey HQAXGFSINNKILE-UHFFFAOYSA-N
Mol Weight 284.34 g/mol
Molecular Formula C13H12N6S
Exact Mass 284.084416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AoOcTItxrp
Name 5-Amino-1-(4-methylbenzylideneamino)-6-imino-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N6S
InChI InChI=1S/C13H12N6S/c1-8-2-4-9(5-3-8)7-17-19-12(16)11(15)10(6-14)18-13(19)20/h2-5,7,16H,15H2,1H3,(H,18,20)
InChIKey HQAXGFSINNKILE-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2495
Molecular Weight 284.341 g/mol
SMILES NC=1C(N(C(NC1C#N)=S)N=Cc1ccc(cc1)C)=N
SPLASH splash10-00ec-3190000000-39d1d2872490013a9822
Source of Spectrum Y-53-1841-4b
Wiley ID 1876701