| SpectraBase Spectrum ID |
8HEyWxNKJuM |
| Name |
1-(4-fluorophenyl)-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 |
C22H21FN4O2 |
| InChI |
InChI=1S/C22H21FN4O2/c1-3-13-26-20-19(25(2)18(24-20)14-15-7-5-4-6-8-15)21(28)27(22(26)29)17-11-9-16(23)10-12-17/h4-12H,3,13-14H2,1-2H3 |
| InChIKey |
RSMDRTUIXVRUAA-UHFFFAOYSA-N |
| Molecular Weight |
392.434 g/mol |
| SMILES |
c12c(C(=O)N(C(N2CCC)=O)c2ccc(cc2)F)[n](C)c(n1)Cc1ccccc1 |
| SPLASH |
splash10-03di-0902000000-488bfbc4ee24529fe172 |
| Source of Spectrum |
E2-50-1381-4 |
| Synonyms |
8-benzyl-1-(4-fluorophenyl)-7-methyl-3-propyl-purine-2,6-dione
8-benzyl-1-(4-fluorophenyl)-7-methyl-3-propyl-xanthine
1-(4-fluorophenyl)-7-methyl-8-(phenylmethyl)-3-propylpurine-2,6-dione |
| Wiley ID |
1556032 |
