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N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID AuJlNjnH7oO
InChI InChI=1S/C14H15N5O3S/c1-7-8(2)16-13(9(7)5-15)17-11(21)6-23-14-18-10(20)4-12(19-14)22-3/h4,16H,6H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKey BOLXRWXVFILMAF-UHFFFAOYSA-N
Mol Weight 333.37 g/mol
Molecular Formula C14H15N5O3S
Exact Mass 333.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2uvL61ZH3A
Name N-(3-cyano-4,5-dimethyl-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 C14H15N5O3S
InChI InChI=1S/C14H15N5O3S/c1-7-8(2)16-13(9(7)5-15)17-11(21)6-23-14-18-10(20)4-12(19-14)22-3/h4,16H,6H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKey BOLXRWXVFILMAF-UHFFFAOYSA-N
Molecular Weight 333.366 g/mol
SMILES [nH]1c(c(c(c1NC(CSC1=NC(OC)=CC(N1)=O)=O)C#N)C)C
SPLASH splash10-001c-5900000000-b44d56f16f4810528df4
Source of Spectrum IY-2-5066-5
Synonyms N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Wiley ID 1658648