| SpectraBase Spectrum ID |
Emt9qMGLyIn |
| Name |
Pyrimido[4,5-D]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(2-phenylethyl)-1-(2-propenyl)-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.135782453 u |
| Formula |
C17H20N4OS |
| InChI |
InChI=1S/C17H20N4OS/c1-2-9-21-15-14(16(22)19-17(21)23)11-20(12-18-15)10-8-13-6-4-3-5-7-13/h2-7,18H,1,8-12H2,(H,19,22,23) |
| InChIKey |
DOBBKMKPGIQFTD-UHFFFAOYSA-N |
| Molecular Weight |
328.434 g/mol |
| SMILES |
C1=2C(NC(N(C2NCN(C1)CCC1=CC=CC=C1)CC=C)=S)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837929 |
![Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(2-phenylethyl)-1-(2-propenyl)-2-thioxo-](/api/spectrum/Emt9qMGLyIn/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(2-phenylethyl)-1-(2-propenyl)-2-thioxo-")
