| SpectraBase Spectrum ID |
CDjIUqJA9vn |
| Name |
Pyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione, 1-(4-fluorophenyl)-5,6,7,8-tetrahydro-6-(2-phenylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.149204029 u |
| Formula |
C20H19FN4O2 |
| InChI |
InChI=1S/C20H19FN4O2/c21-15-6-8-16(9-7-15)25-18-17(19(26)23-20(25)27)12-24(13-22-18)11-10-14-4-2-1-3-5-14/h1-9,22H,10-13H2,(H,23,26,27) |
| InChIKey |
LGNLMYNVNKOLIJ-UHFFFAOYSA-N |
| Molecular Weight |
366.396 g/mol |
| SMILES |
C1=2N(C(=O)NC(C2CN(CN1)CCC=1C=CC=CC1)=O)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934025 |
![Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-fluorophenyl)-5,6,7,8-tetrahydro-6-(2-phenylethyl)-](/api/spectrum/CDjIUqJA9vn/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-fluorophenyl)-5,6,7,8-tetrahydro-6-(2-phenylethyl)-")
