SpectraBase Spectrum ID |
JWfok1X3aOr |
Name |
4(1H)-Pyrimidinone, 5-bromo-2-[[4-(2-naphthalenyloxy)butyl]thio]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.019411967 u |
Formula |
C18H17BrN2O2S |
InChI |
InChI=1S/C18H17BrN2O2S/c19-16-12-20-18(21-17(16)22)24-10-4-3-9-23-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,20,21,22) |
InChIKey |
APVSWNQDEYSPMJ-UHFFFAOYSA-N |
Molecular Weight |
405.310 g/mol |
SMILES |
C1(N=C(NC=C1Br)SCCCCOC=1C=C2C=CC=CC2=CC1)=O |