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N(5)-Allyl-4,6-dihydroxy-2-thioxo-1,2-dihydro-5-pyrimidine-carbothioamide
SpectraBase Compound ID Gh2tiS95wcf
InChI InChI=1S/C8H9N3O2S2/c1-2-3-9-7(14)4-5(12)10-8(15)11-6(4)13/h2H,1,3H2,(H,9,14)(H3,10,11,12,13,15)
InChIKey HXAGVYUWHWBBTM-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C8H9N3O2S2
Exact Mass 243.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MKN0A2dEJH
Name N(5)-Allyl-4,6-dihydroxy-2-thioxo-1,2-dihydro-5-pyrimidine-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3O2S2
InChI InChI=1S/C8H9N3O2S2/c1-2-3-9-7(14)4-5(12)10-8(15)11-6(4)13/h2H,1,3H2,(H,9,14)(H3,10,11,12,13,15)
InChIKey HXAGVYUWHWBBTM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200300802
Molecular Weight 243.299 g/mol
SMILES OC=1C(=C(O)NC(N1)=S)C(NCC=C)=S
SPLASH splash10-004i-1190000000-afdcb60265ede8bc5a45
Source of Spectrum APP-337-137-14
Synonyms N5-allyl-4,6-dihydroxy-2-thioxo-1,2-dihydro-5-pyrimidinecarbothioamide N-allyl-4,6-dihydroxy-2-thioxo-1,2-dihydro-5-pyrimidinecarbothioamide N-allyl-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidine-5-carbothioamide
Wiley ID 1770780