| SpectraBase Spectrum ID |
8iKB2iT5G10 |
| Name |
7-(2-Hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.129116670 u |
| Formula |
C16H17N7O5 |
| InChI |
InChI=1S/C16H17N7O5/c1-20-13-12(14(25)21(2)16(20)26)22(7-8-24)15(18-13)19-17-9-10-3-5-11(6-4-10)23(27)28/h3-6,9,24H,7-8H2,1-2H3,(H,18,19)/b17-9+ |
| InChIKey |
KERRDMUMOLTXIG-RQZCQDPDSA-N |
| Molecular Weight |
387.356 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CCO)C(=N1)N\N=C\C=1C=CC(N(=O)=O)=CC1 |
![7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione](/api/spectrum/8iKB2iT5G10/structure.png?h=300&w=458 "7-(2-hydroxyethyl)-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione")
