| SpectraBase Spectrum ID |
DKkpylixhts |
| Name |
N-(2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-yl)-beta-alanine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.104147971 u |
| Formula |
C14H17N3O2S |
| InChI |
InChI=1S/C14H17N3O2S/c1-8-16-13(15-7-6-11(18)19)12-9-4-2-3-5-10(9)20-14(12)17-8/h2-7H2,1H3,(H,18,19)(H,15,16,17) |
| InChIKey |
CXHXLGCFXFORKS-UHFFFAOYSA-N |
| Molecular Weight |
291.369 g/mol |
| SMILES |
N(C=1C2=C(SC3=C2CCCC3)N=C(N1)C)CCC(=O)O |
![N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine](/api/spectrum/DKkpylixhts/structure.png?h=300&w=458 "N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine")
