| SpectraBase Spectrum ID |
KYpDPEKDXHF |
| Name |
2-phenyl-9-(phenylmethyl)-6-(phenylmethylsulfanyl)purine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20N4S |
| InChI |
InChI=1S/C25H20N4S/c1-4-10-19(11-5-1)16-29-18-26-22-24(29)27-23(21-14-8-3-9-15-21)28-25(22)30-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2 |
| InChIKey |
XTORYRSSODOJQN-UHFFFAOYSA-N |
| Molecular Weight |
408.523 g/mol |
| SMILES |
c1nc2c(nc(nc2[n]1Cc1ccccc1)-c1ccccc1)SCc1ccccc1 |
| SPLASH |
splash10-0006-9000100000-d3cd486615cd75b1cccf |
| Source of Spectrum |
AJ-41-578-10 |
| Synonyms |
2-phenyl-9-(phenylmethyl)-6-(phenylmethylthio)purine
9-benzyl-6-benzylsulfanyl-2-phenyl-purine
9-benzyl-6-benzylsulfanyl-2-phenylpurine |
| Wiley ID |
1567572 |
