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6-Amino-3-[(E)-(1-(furan-2-yl)ethylidne)amino]-2-thioxo-2,3-dihydropyrimidine-4,5-dicarbonitrile
SpectraBase Compound ID EpKrJXTLhHi
InChI InChI=1S/C12H8N6OS/c1-7(10-3-2-4-19-10)17-18-9(6-14)8(5-13)11(15)16-12(18)20/h2-4H,1H3,(H2,15,16,20)/b17-7+
InChIKey UWUHZFIMNXPKQD-REZTVBANSA-N
Mol Weight 284.3 g/mol
Molecular Formula C12H8N6OS
Exact Mass 284.04803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 552BmlfRSje
Name 6-Amino-3-[(E)-(1-(furan-2-yl)ethylidne)amino]-2-thioxo-2,3-dihydropyrimidine-4,5-dicarbonitrile
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N6OS
InChI InChI=1S/C12H8N6OS/c1-7(10-3-2-4-19-10)17-18-9(6-14)8(5-13)11(15)16-12(18)20/h2-4H,1H3,(H2,15,16,20)/b17-7+
InChIKey UWUHZFIMNXPKQD-REZTVBANSA-N
Instrument Name Finnigan MAT 312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2350
Molecular Weight 284.297 g/mol
SMILES NC1=NC(N(C(=C1C#N)C#N)\N=C/(C)c1ccco1)=S
SPLASH splash10-069r-4390000000-44bcdcc912278253faab
Source of Spectrum Y-53-880-8b
Wiley ID 1876458