Debug Info

object
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_id
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9SNRs4KO0xp
spectrumID
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9SNRs4KO0xp
cost
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specType
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131072
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Mass Spectrum (GC)
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compound
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3-Amino-5-(4-chlorophenyl)-4-imino-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 3TbjJ5Q01Sl
InChI InChI=1S/C13H8ClN5S/c14-8-3-1-7(2-4-8)10-9(5-15)20-13-11(10)12(16)19(17)6-18-13/h1-4,6,16H,17H2
InChIKey QGOWSPZTQGCCJL-UHFFFAOYSA-N
Mol Weight 301.75 g/mol
Molecular Formula C13H8ClN5S
Exact Mass 301.018894 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SNRs4KO0xp
Name 3-Amino-5-(4-chlorophenyl)-4-imino-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8ClN5S
InChI InChI=1S/C13H8ClN5S/c14-8-3-1-7(2-4-8)10-9(5-15)20-13-11(10)12(16)19(17)6-18-13/h1-4,6,16H,17H2
InChIKey QGOWSPZTQGCCJL-UHFFFAOYSA-N
Molecular Weight 301.755 g/mol
SMILES N=C1N(C=Nc2c1c(c(s2)C#N)-c1ccc(cc1)Cl)N
SPLASH splash10-0udi-0009000000-58b8089f7d0edf8fba53
Source of Spectrum Y-49-367-8
Synonyms 3-amino-5-(4-chlorophenyl)-4-imino-6-thieno[2,3-d]pyrimidinecarbonitrile 3-amino-5-(4-chlorophenyl)-4-iminothieno[2,3-d]pyrimidine-6-carbonitrile 3-azanyl-4-azanylidene-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1706564
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