| SpectraBase Spectrum ID |
BREFnxdrC0D |
| Name |
3-(6-Butyl-2-thiophen-2-ylpyrimidin-4-yl)-1H-indole |
| Alternate Name(s) |
3-(6-butyl-2-thiophen-2-yl-4-pyrimidinyl)-1H-indole
3-(6-butyl-2-thiophen-2-yl-pyrimidin-4-yl)-1H-indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19N3S |
| InChI |
InChI=1S/C20H19N3S/c1-2-3-7-14-12-18(23-20(22-14)19-10-6-11-24-19)16-13-21-17-9-5-4-8-15(16)17/h4-6,8-13,21H,2-3,7H2,1H3 |
| InChIKey |
HQDVBEKJJJQOMS-UHFFFAOYSA-N |
| Molecular Weight |
333.453 g/mol |
| SMILES |
[nH]1c2c(c(c1)-c1nc(-c3sccc3)nc(c1)CCCC)cccc2 |
| SPLASH |
splash10-0006-0091000000-e6d5a6d99265fdc06133 |
| Source of Spectrum |
C5-2003-2824-8 |
| Wiley ID |
1616327 |
