For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-6-propyl-4(1H)-pyrimidinone
SpectraBase Compound ID IRx2x5CWqKY
InChI InChI=1S/C15H16N4OS/c1-2-5-10-8-14(20)19-15(16-10)21-9-13-17-11-6-3-4-7-12(11)18-13/h3-4,6-8H,2,5,9H2,1H3,(H,17,18)(H,16,19,20)
InChIKey HMEOZYTVHVWHDZ-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C15H16N4OS
Exact Mass 300.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LxvggsaPgDR
Name 2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-6-propyl-4(1H)-pyrimidinone
CAS Registry Number 114878-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4OS
InChI InChI=1S/C15H16N4OS/c1-2-5-10-8-14(20)19-15(16-10)21-9-13-17-11-6-3-4-7-12(11)18-13/h3-4,6-8H,2,5,9H2,1H3,(H,17,18)(H,16,19,20)
InChIKey HMEOZYTVHVWHDZ-UHFFFAOYSA-N
Molecular Weight 300.380 g/mol
SMILES N1C(=CC(N=C1SCc1nc2ccccc2[nH]1)=O)CCC
SPLASH splash10-0gx0-5912000000-97faa910fcd01b285f11
Source of Spectrum AD-0-2532-0
Synonyms 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one 2-(1H-benzimidazol-2-ylmethylthio)-6-propyl-1H-pyrimidin-4-one Pyrimidin-4(1H)-one, 2-(2-benzimidazolylmethylthio)-6-propyl-
Wiley ID 1432222