| SpectraBase Spectrum ID |
AaLwuOV5C8x |
| Name |
7-Methyl-8-benzyl-1-cyclohexyl-3-propylxanthine-2,6-dione |
| Alternate Name(s) |
8-benzyl-1-cyclohexyl-7-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
1-cyclohexyl-7-methyl-8-(phenylmethyl)-3-propylpurine-2,6-dione
8-benzyl-1-cyclohexyl-7-methyl-3-propylpurine-2,6-dione
8-benzyl-1-cyclohexyl-7-methyl-3-propyl-purine-2,6-dione
1-cyclohexyl-7-methyl-8-(phenylmethyl)-3-propyl-purine-2,6-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N4O2 |
| InChI |
InChI=1S/C22H28N4O2/c1-3-14-25-20-19(21(27)26(22(25)28)17-12-8-5-9-13-17)24(2)18(23-20)15-16-10-6-4-7-11-16/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3 |
| InChIKey |
YINHEVHURZPRLB-UHFFFAOYSA-N |
| Molecular Weight |
380.492 g/mol |
| SMILES |
c12c(C(=O)N(C(N2CCC)=O)C2CCCCC2)[n](C)c(n1)Cc1ccccc1 |
| SPLASH |
splash10-0a4i-9000000000-e5b8e151aa549fc54edf |
| Source of Spectrum |
E2-50-1381-4 |
| Wiley ID |
1556036 |
