| SpectraBase Spectrum ID |
sXWtiTEGPS |
| Name |
1H-Purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-(cyclohexylamino)-3,7-dihydro-1,3-dimethyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.111338031 u |
| Formula |
C20H24BrN5O2 |
| InChI |
InChI=1S/C20H24BrN5O2/c1-24-17-16(18(27)25(2)20(24)28)26(12-13-8-10-14(21)11-9-13)19(23-17)22-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,22,23) |
| InChIKey |
RZYGLLVAHWREEO-UHFFFAOYSA-N |
| Molecular Weight |
446.349 g/mol |
| SMILES |
N(C1=NC2=C(N1CC1=CC=C(C=C1)Br)C(=O)N(C(N2C)=O)C)C1CCCCC1 |
![1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-(cyclohexylamino)-3,7-dihydro-1,3-dimethyl-](/api/spectrum/sXWtiTEGPS/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-(cyclohexylamino)-3,7-dihydro-1,3-dimethyl-")
