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7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-thione
SpectraBase Compound ID 1CCukSGuan3
InChI InChI=1S/C19H15N3S/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKey DHRWSADHMMDCAL-UHFFFAOYSA-N
Mol Weight 317.41 g/mol
Molecular Formula C19H15N3S
Exact Mass 317.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WCvgm2qIPv
Name 7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3S
InChI InChI=1S/C19H15N3S/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKey DHRWSADHMMDCAL-UHFFFAOYSA-N
Molecular Weight 317.410 g/mol
SMILES N1C(c2c(N=C1)[n](cc2-c1ccccc1)-c1ccc(cc1)C)=S
SPLASH splash10-014i-0009000000-8cb2a5d9a1d86d42bbdb
Source of Spectrum F2-46-6080-4c
Wiley ID 1689933