| SpectraBase Spectrum ID |
8jCLja4SO7Y |
| Name |
Pyrimido[4,5-D]pyrimidin-4(1H)-one, 1-(3-fluorophenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.110710519 u |
| Formula |
C15H17FN4OS |
| InChI |
InChI=1S/C15H17FN4OS/c1-2-6-19-8-12-13(17-9-19)20(15(22)18-14(12)21)11-5-3-4-10(16)7-11/h3-5,7,17H,2,6,8-9H2,1H3,(H,18,21,22) |
| InChIKey |
FQAXMYITAIAVPE-UHFFFAOYSA-N |
| Molecular Weight |
320.386 g/mol |
| SMILES |
CCCN1CC=2C(NC(N(C2NC1)C=1C=C(C=CC1)F)=S)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914167 |
![Pyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(3-fluorophenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo-](/api/spectrum/8jCLja4SO7Y/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(3-fluorophenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo-")
