| SpectraBase Spectrum ID |
9nCJOq5MzrI |
| Name |
1,2,3,6-Tetrahydropurin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-chlorophenyl)ethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.088353437 u |
| Formula |
C16H15ClN4O2 |
| InChI |
InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ |
| InChIKey |
WBWFIUAVMCNYPG-BQYQJAHWSA-N |
| Molecular Weight |
330.775 g/mol |
| SMILES |
C1(N(C(C2=C(N1C)N=C(N2C)\C=C\C1=CC=CC(=C1)Cl)=O)C)=O |
![1,2,3,6-Tetrahydropurin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-chlorophenyl)ethenyl]-](/api/spectrum/9nCJOq5MzrI/structure.png?h=300&w=458 "1,2,3,6-Tetrahydropurin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-chlorophenyl)ethenyl]-")
