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5-Acetamido-5-benzyl-6-imino-1,2,5,6-tetrahydro-2(1H)-thioxopyrimidin-4(3H)-one
SpectraBase Compound ID AhvNsrjuNR
InChI InChI=1S/C13H14N4O2S/c1-8(18)17-13(7-9-5-3-2-4-6-9)10(14)15-12(20)16-11(13)19/h2-6H,7H2,1H3,(H,17,18)(H3,14,15,16,19,20)
InChIKey NBKJCLJTHCFQET-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C13H14N4O2S
Exact Mass 290.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZY8IbtIT0x
Name 5-Acetamido-5-benzyl-6-imino-1,2,5,6-tetrahydro-2(1H)-thioxopyrimidin-4(3H)-one
CAS Registry Number 130030-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4O2S
InChI InChI=1S/C13H14N4O2S/c1-8(18)17-13(7-9-5-3-2-4-6-9)10(14)15-12(20)16-11(13)19/h2-6H,7H2,1H3,(H,17,18)(H3,14,15,16,19,20)
InChIKey NBKJCLJTHCFQET-UHFFFAOYSA-N
Molecular Weight 290.341 g/mol
SMILES N1C(NC(C(C1=N)(NC(=O)C)Cc1ccccc1)=O)=S
SPLASH splash10-0006-9150000000-53892ae17bd0452cbf4c
Source of Spectrum KC-0-1002-5
Synonyms 5-Benzyl-5-acetylamino-6-imino-1,2,5,6-tetrahydro-2-thioxopyrimidin-4(3H)-one N-(4-amino-5-benzyl-6-keto-2-thioxo-pyrimidin-5-yl)acetamide N-(4-amino-5-benzyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)acetamide N-(4-amino-5-benzyl-6-oxo-2-thioxo-pyrimidin-5-yl)acetamide N-(5-Benzyl-4-imino-6-oxo-2-thioxohexahydro-5-pyrimidinyl)acetamide N-[4-amino-6-oxo-5-(phenylmethyl)-2-sulfanylidene-5-pyrimidinyl]acetamide N-[4-azanyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-5-yl]ethanamide
Wiley ID 820564