| SpectraBase Spectrum ID |
6MMzK2fgNfP |
| Name |
Pyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione, 1-(2-fluorophenyl)-5,6,7,8-tetrahydro-6-(1-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/c1-13(14-7-3-2-4-8-14)24-11-15-18(22-12-24)25(20(27)23-19(15)26)17-10-6-5-9-16(17)21/h2-10,13,22H,11-12H2,1H3,(H,23,26,27) |
| InChIKey |
IOHBVQUWSPHRST-UHFFFAOYSA-N |
| Molecular Weight |
366.396 g/mol |
| SMILES |
C1=2N(C(=O)NC(C2CN(CN1)C(C=1C=CC=CC1)C)=O)C=1C(F)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819592 |
![Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(2-fluorophenyl)-5,6,7,8-tetrahydro-6-(1-phenylethyl)-](/api/spectrum/6MMzK2fgNfP/structure.png?h=300&w=458 "Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(2-fluorophenyl)-5,6,7,8-tetrahydro-6-(1-phenylethyl)-")
