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Acetamide, N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-(9H-purin-6-ylthio)-
SpectraBase Compound ID 4Bm1R26KyVd
InChI InChI=1S/C18H18N6O2S/c25-14(9-27-18-16-17(21-10-20-16)22-11-23-18)19-8-12-3-5-13(6-4-12)24-7-1-2-15(24)26/h3-6,10-11H,1-2,7-9H2,(H,19,25)(H,20,21,22,23)
InChIKey KUUPIUBYIPHOAF-UHFFFAOYSA-N
Mol Weight 382.44 g/mol
Molecular Formula C18H18N6O2S
Exact Mass 382.121195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVcXPfGyh1W
Name Acetamide, N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-(9H-purin-6-ylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6O2S
InChI InChI=1S/C18H18N6O2S/c25-14(9-27-18-16-17(21-10-20-16)22-11-23-18)19-8-12-3-5-13(6-4-12)24-7-1-2-15(24)26/h3-6,10-11H,1-2,7-9H2,(H,19,25)(H,20,21,22,23)
InChIKey KUUPIUBYIPHOAF-UHFFFAOYSA-N
Molecular Weight 382.442 g/mol
SMILES [nH]1cnc2c(SCC(NCc3ccc(N4C(=O)CCC4)cc3)=O)ncnc12
SPLASH splash10-001i-1950000000-ae47a4cf49c759cfb073
Source of Spectrum IY-1-4649-3
Synonyms N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-(7H-purin-6-ylthio)acetamide N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)acetamide N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-(7H-purin-6-ylsulfanyl)ethanamide
Wiley ID 1654476