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4-keto-2-thioxo-1H-pyrimidine-5-carboxamide

View entire compound with spectra: 1 MS (GC)

4-keto-2-thioxo-1H-pyrimidine-5-carboxamide
SpectraBase Compound ID E7ycL51fCbv
InChI InChI=1S/C5H5N3O2S/c6-3(9)2-1-7-5(11)8-4(2)10/h1H,(H2,6,9)(H2,7,8,10,11)
InChIKey NCQPOWOIQVRWHJ-UHFFFAOYSA-N
Mol Weight 171.17 g/mol
Molecular Formula C5H5N3O2S
Exact Mass 171.010248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvPNSBSznur
Name 4-keto-2-thioxo-1H-pyrimidine-5-carboxamide
Alternate Name(s) 4-Oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxamide 4-Oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide 4-Oxo-2-thioxo-1H-pyrimidine-5-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N3O2S
InChI InChI=1S/C5H5N3O2S/c6-3(9)2-1-7-5(11)8-4(2)10/h1H,(H2,6,9)(H2,7,8,10,11)
InChIKey NCQPOWOIQVRWHJ-UHFFFAOYSA-N
Molecular Weight 171.174 g/mol
SMILES NC(c1cnc(nc1O)S)=O
SPLASH splash10-00xr-9800000000-0a48cc96ffa8e7f156a0
Source of Spectrum AJ-42-561-2
Wiley ID 1567901