| SpectraBase Spectrum ID |
DFUEedwcWsz |
| Name |
1H-Pyrimido[4,5-D]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.110710519 u |
| Formula |
C19H17FN4OS |
| InChI |
InChI=1S/C19H17FN4OS/c20-14-6-8-15(9-7-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,25,26) |
| InChIKey |
YOIVGQBYJNARNN-UHFFFAOYSA-N |
| Molecular Weight |
368.430 g/mol |
| SMILES |
C1(=CC=CC=C1)CN1CNC2=C(C(NC(N2C2=CC=C(C=C2)F)=S)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892523 |
![1H-Pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-](/api/spectrum/DFUEedwcWsz/structure.png?h=300&w=458 "1H-Pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-")
