| SpectraBase Spectrum ID |
FffzwZPlHc0 |
| Name |
1H-Pyrrolo[3,4-D]pyrimidine-2,5-dione, 6-(3,5-dimethylphenyl)-3,4,6,7-tetrahydro-1-methyl-4-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.163376926 u |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c1-13-9-14(2)11-16(10-13)24-12-17-18(20(24)25)19(22-21(26)23(17)3)15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,22,26) |
| InChIKey |
YXCFUMRLVATUMI-UHFFFAOYSA-N |
| Molecular Weight |
347.418 g/mol |
| SMILES |
C1C=2N(C)C(=O)NC(C2C(N1C1=CC(C)=CC(C)=C1)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885637 |
![1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3,5-dimethylphenyl)-3,4,6,7-tetrahydro-1-methyl-4-phenyl-](/api/spectrum/FffzwZPlHc0/structure.png?h=300&w=458 "1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3,5-dimethylphenyl)-3,4,6,7-tetrahydro-1-methyl-4-phenyl-")
