| SpectraBase Spectrum ID |
HFA0JCTJxEc |
| Name |
8-{[Benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.232125192 u |
| Formula |
C25H29N5O2 |
| InChI |
InChI=1S/C25H29N5O2/c1-27(17-20-13-8-5-9-14-20)18-21-26-23-22(24(31)29(3)25(32)28(23)2)30(21)16-10-15-19-11-6-4-7-12-19/h4-9,11-14H,10,15-18H2,1-3H3 |
| InChIKey |
MWCSXTGSSKNQJY-UHFFFAOYSA-N |
| Molecular Weight |
431.540 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CCCC2=CC=CC=C2)C(=N1)CN(CC1=CC=CC=C1)C |
![8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/HFA0JCTJxEc/structure.png?h=300&w=458 "8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione")
