| SpectraBase Spectrum ID |
1dHFteYc21h |
| Name |
8-(1-azepanyl)-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione |
| Alternate Name(s) |
8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine
8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione
8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24BrN5O3 |
| InChI |
InChI=1S/C21H24BrN5O3/c1-24-18-17(19(29)25(2)21(24)30)27(13-16(28)14-7-9-15(22)10-8-14)20(23-18)26-11-5-3-4-6-12-26/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey |
BMMWWCMFZYMYBH-UHFFFAOYSA-N |
| Molecular Weight |
474.359 g/mol |
| SMILES |
c12c([n](CC(c3ccc(cc3)Br)=O)c(n1)N1CCCCCC1)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-004i-8790400000-ecedf6e3ab63a4e94077 |
| Wiley ID |
1459634 |
![1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-1,3-dimethyl-](/api/spectrum/1dHFteYc21h/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-1,3-dimethyl-")
