| SpectraBase Spectrum ID |
49yoftTfvcv |
| Name |
1-[(4-Tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.205576091 u |
| Formula |
C24H26N4O2 |
| InChI |
InChI=1S/C24H26N4O2/c1-24(2,3)19-12-10-18(11-13-19)15-28-22(29)20-21(26(4)23(28)30)25-16-27(20)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3 |
| InChIKey |
BPQYPVMGQRWAIS-UHFFFAOYSA-N |
| Molecular Weight |
402.498 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)CC=2C=CC(C(C)(C)C)=CC2)N(CC2=CC=CC=C2)C=N1 |
![1-[(4-Tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione](/api/spectrum/49yoftTfvcv/structure.png?h=300&w=458 "1-[(4-Tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione")
