| SpectraBase Spectrum ID |
AnxVXDoMqrA |
| Name |
4H-Cyclohepta[4,5]thieno[2,3-D]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-[(3-methylbutyl)thio]-3-phenyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.148655812 u |
| Formula |
C22H26N2OS2 |
| InChI |
InChI=1S/C22H26N2OS2/c1-15(2)13-14-26-22-23-20-19(17-11-7-4-8-12-18(17)27-20)21(25)24(22)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3 |
| InChIKey |
NVVNINLKTUDDIE-UHFFFAOYSA-N |
| Molecular Weight |
398.583 g/mol |
| SMILES |
C12=C(N=C(N(C2=O)C2=CC=CC=C2)SCCC(C)C)SC2=C1CCCCC2 |
![4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-[(3-methylbutyl)thio]-3-phenyl-](/api/spectrum/AnxVXDoMqrA/structure.png?h=300&w=458 "4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-[(3-methylbutyl)thio]-3-phenyl-")
