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N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID LelHjCIUh1j
InChI InChI=1S/C20H19N5O3S/c1-12-14(10-21)19(22-15(12)8-13-6-4-3-5-7-13)23-17(27)11-29-20-24-16(26)9-18(25-20)28-2/h3-7,9,22H,8,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKey DGPOADGJMFLMFT-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C20H19N5O3S
Exact Mass 409.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kiiyTtyJwG
Name N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O3S
InChI InChI=1S/C20H19N5O3S/c1-12-14(10-21)19(22-15(12)8-13-6-4-3-5-7-13)23-17(27)11-29-20-24-16(26)9-18(25-20)28-2/h3-7,9,22H,8,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKey DGPOADGJMFLMFT-UHFFFAOYSA-N
Molecular Weight 409.464 g/mol
SMILES [nH]1c(c(c(C)c1Cc1ccccc1)C#N)NC(CSC1=NC(OC)=CC(N1)=O)=O
SPLASH splash10-03di-5970000000-279c58712048f5993163
Source of Spectrum IY-2-5034-7
Synonyms N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Wiley ID 1658330