| SpectraBase Spectrum ID |
IaDGBcdgOag |
| Name |
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.195405329 u |
| Formula |
C25H26N4O4 |
| InChI |
InChI=1S/C25H26N4O4/c1-5-8-20(30)17-11-13-19(14-12-17)33-24-26-22-21(23(31)28(4)25(32)27(22)3)29(24)15-18-10-7-6-9-16(18)2/h6-7,9-14H,5,8,15H2,1-4H3 |
| InChIKey |
OFJWIJMEMTZIDG-UHFFFAOYSA-N |
| Molecular Weight |
446.507 g/mol |
| SMILES |
C1(=O)N(C=2N=C(N(C2C(=O)N1C)CC1=CC=CC=C1C)OC1=CC=C(C=C1)C(=O)CCC)C |
![1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]-](/api/spectrum/IaDGBcdgOag/structure.png?h=300&w=458 "1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[4-(1-oxobutyl)phenoxy]-")
