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2-Amino-6-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID JrE3aGpOV9P
InChI InChI=1S/C11H8N4S/c12-6-8-9(7-4-2-1-3-5-7)14-11(13)15-10(8)16/h1-5H,(H3,13,14,15,16)
InChIKey NGYUGCOXEIFIMD-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C11H8N4S
Exact Mass 228.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvR0onVXEPb
Name 2-Amino-6-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4S
InChI InChI=1S/C11H8N4S/c12-6-8-9(7-4-2-1-3-5-7)14-11(13)15-10(8)16/h1-5H,(H3,13,14,15,16)
InChIKey NGYUGCOXEIFIMD-UHFFFAOYSA-N
Molecular Weight 228.273 g/mol
SMILES N1C(N)=NC(=C(C1=S)C#N)c1ccccc1
SPLASH splash10-004i-0390000000-f0e3d151ec495b20f84c
Source of Spectrum SO-0-404-5
Synonyms 2-Amino-6-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile 2-Azanyl-6-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
Wiley ID 1537929