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5-Amino-1-(benzylideneamino)-6-imino-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
SpectraBase Compound ID KHU7oU30soP
InChI InChI=1S/C12H10N6S/c13-6-9-10(14)11(15)18(12(19)17-9)16-7-8-4-2-1-3-5-8/h1-5,7,15H,14H2,(H,17,19)
InChIKey JGNXEKYJHKAWLF-UHFFFAOYSA-N
Mol Weight 270.31 g/mol
Molecular Formula C12H10N6S
Exact Mass 270.068766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TwzAt5COua
Name 5-Amino-1-(benzylideneamino)-6-imino-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Appearance Reddish brown
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N6S
InChI InChI=1S/C12H10N6S/c13-6-9-10(14)11(15)18(12(19)17-9)16-7-8-4-2-1-3-5-8/h1-5,7,15H,14H2,(H,17,19)
InChIKey JGNXEKYJHKAWLF-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2495
Molecular Weight 270.314 g/mol
SMILES NC=1C(N(C(NC1C#N)=S)N=Cc1ccccc1)=N
SPLASH splash10-0fb9-6490000000-b8854eaef407260f2015
Source of Spectrum Y-53-1841-4a
Wiley ID 1876700