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N-(4-Imino-5-methyl-6-oxo-2-thioxohexahydro-5-pyrimidinyl)-2-methylpropanamide
SpectraBase Compound ID KBW0o6ORwrE
InChI InChI=1S/C9H14N4O2S/c1-4(2)5(14)13-9(3)6(10)11-8(16)12-7(9)15/h4H,1-3H3,(H,13,14)(H3,10,11,12,15,16)
InChIKey QDKSITFPHWRCPT-UHFFFAOYSA-N
Mol Weight 242.3 g/mol
Molecular Formula C9H14N4O2S
Exact Mass 242.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LQUhafEM8k
Name N-(4-Imino-5-methyl-6-oxo-2-thioxohexahydro-5-pyrimidinyl)-2-methylpropanamide
CAS Registry Number 126552-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N4O2S
InChI InChI=1S/C9H14N4O2S/c1-4(2)5(14)13-9(3)6(10)11-8(16)12-7(9)15/h4H,1-3H3,(H,13,14)(H3,10,11,12,15,16)
InChIKey QDKSITFPHWRCPT-UHFFFAOYSA-N
Molecular Weight 242.297 g/mol
SMILES SC1=NC(C(C(=N1)N)(NC(=O)C(C)C)C)=O
SPLASH splash10-0006-0960000000-7ea388d778407b9fc925
Source of Spectrum O-24-872-3
Synonyms 5-Isobutyramido-5-methyl-6-imino-1,2,5,6-tetrahydro-2(1H)-thioxopyrimidin-4(3H)-one 5-Methyl-5-[(2-methylpropanoyl)amino]-6-imino-hexahydro-2-thioxopyrimidin-4-one N-(4-amino-5-methyl-6-oxo-2-sulfanylidene-5-pyrimidinyl)-2-methylpropanamide N-(4-amino-5-methyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)-2-methylpropanamide N-(4-amino-5-methyl-6-oxo-2-thioxo-pyrimidin-5-yl)-2-methyl-propanamide N-(4-amino-6-keto-5-methyl-2-thioxo-pyrimidin-5-yl)-2-methyl-propionamide N-(4-azanyl-5-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-2-methyl-propanamide
Wiley ID 1244529