| SpectraBase Spectrum ID |
82hFC8SgpEM |
| Name |
7-Amino-5-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-D]pyrimidine-6-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.087746585 u |
| Formula |
C16H12F2N4O3 |
| InChI |
InChI=1S/C16H12F2N4O3/c1-21-14(23)12-11(8-4-3-7(17)5-10(8)18)9(6-19)13(20)25-15(12)22(2)16(21)24/h3-5,11H,20H2,1-2H3 |
| InChIKey |
HDYVIMLBOPZBGH-UHFFFAOYSA-N |
| Molecular Weight |
346.294 g/mol |
| SMILES |
C=1(C(C2=C(OC1N)N(C(N(C2=O)C)=O)C)C=1C=CC(=CC1F)F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836189 |
![7-Amino-5-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile](/api/spectrum/82hFC8SgpEM/structure.png?h=300&w=458 "7-Amino-5-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile")
