| SpectraBase Spectrum ID |
LjEDSWIzfGr |
| Name |
2-(Heptylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.195606005 u |
| Formula |
C25H32N2OS2 |
| InChI |
InChI=1S/C25H32N2OS2/c1-2-3-4-5-11-18-29-25-26-23-22(20-14-9-10-15-21(20)30-23)24(28)27(25)17-16-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey |
LQXLJAFNAHATON-UHFFFAOYSA-N |
| Molecular Weight |
440.664 g/mol |
| SMILES |
C12=C(N=C(N(C2=O)CCC=2C=CC=CC2)SCCCCCCC)SC2=C1CCCC2 |
![2-(heptylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one](/api/spectrum/LjEDSWIzfGr/structure.png?h=300&w=458 "2-(heptylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one")
