| SpectraBase Spectrum ID |
DKu9xorror4 |
| Name |
6-(benzylthio)-9-cyclohexyl-2-phenyl-purine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24N4S |
| InChI |
InChI=1S/C24H24N4S/c1-4-10-18(11-5-1)16-29-24-21-23(26-22(27-24)19-12-6-2-7-13-19)28(17-25-21)20-14-8-3-9-15-20/h1-2,4-7,10-13,17,20H,3,8-9,14-16H2 |
| InChIKey |
XOJBLZRRNWDULG-UHFFFAOYSA-N |
| Molecular Weight |
400.544 g/mol |
| SMILES |
c1nc2c(nc(nc2[n]1C1CCCCC1)-c1ccccc1)SCc1ccccc1 |
| SPLASH |
splash10-0f6x-9000600000-1c26d132ceeb0f3e47b3 |
| Source of Spectrum |
AJ-41-578-9 |
| Synonyms |
6-benzylsulfanyl-9-cyclohexyl-2-phenyl-purine
9-cyclohexyl-2-phenyl-6-(phenylmethylsulfanyl)purine
9-cyclohexyl-2-phenyl-6-(phenylmethylthio)purine |
| Wiley ID |
1567573 |
