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5-Allyl-5-acetamido-6-imino-1,2,5,6-tetrahydro-2(1H)-thioxopyrimidin-4(3H)-one
SpectraBase Compound ID JFwRBI7caI5
InChI InChI=1S/C9H12N4O2S/c1-3-4-9(13-5(2)14)6(10)11-8(16)12-7(9)15/h3H,1,4H2,2H3,(H,13,14)(H3,10,11,12,15,16)
InChIKey OSENXHFGRMGYRU-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C9H12N4O2S
Exact Mass 240.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgnPi8I6ByN
Name 5-Allyl-5-acetamido-6-imino-1,2,5,6-tetrahydro-2(1H)-thioxopyrimidin-4(3H)-one
CAS Registry Number 114477-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O2S
InChI InChI=1S/C9H12N4O2S/c1-3-4-9(13-5(2)14)6(10)11-8(16)12-7(9)15/h3H,1,4H2,2H3,(H,13,14)(H3,10,11,12,15,16)
InChIKey OSENXHFGRMGYRU-UHFFFAOYSA-N
Molecular Weight 240.281 g/mol
SMILES NC=1C(C(N=C(N1)S)=O)(NC(=O)C)CC=C
SPLASH splash10-052e-1930000000-664c665a6298c0d93a7e
Source of Spectrum O-24-873-6
Synonyms N-(5-Allyl-4-imino-6-oxo-2-thioxohexahydro-5-pyrimidinyl)acetamide 5-Allyl-5-acetamido-6-imino-hexahydro-2-thioxopyrimidin-4-one N-(4-amino-6-oxo-5-prop-2-enyl-2-sulfanylidene-5-pyrimidinyl)acetamide N-(4-amino-6-oxo-5-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl)acetamide N-(4-azanyl-6-oxidanylidene-5-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl)ethanamide N-(5-allyl-4-amino-6-keto-2-thioxo-pyrimidin-5-yl)acetamide N-(5-allyl-4-amino-6-oxo-2-thioxo-pyrimidin-5-yl)acetamide
Wiley ID 1242368