| SpectraBase Spectrum ID |
4yOl8dYwnUG |
| Name |
8-(1-azepanyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27N5O4 |
| InChI |
InChI=1S/C22H27N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-6-4-5-7-13-26)14-17(28)15-8-10-16(31-3)11-9-15/h8-11H,4-7,12-14H2,1-3H3 |
| InChIKey |
BCFNIXUPNOZTSK-UHFFFAOYSA-N |
| Molecular Weight |
425.489 g/mol |
| SMILES |
c12c([n](CC(c3ccc(cc3)OC)=O)c(n1)N1CCCCCC1)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-002r-5950000000-665d231fad271143c3d3 |
| Synonyms |
8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione
8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione
8-(azepan-1-yl)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine |
| Wiley ID |
1459955 |
![1H-purine-2,6-dione, 8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-](/api/spectrum/4yOl8dYwnUG/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-")
