| SpectraBase Spectrum ID |
Aw3XVZaXCu5 |
| Name |
1H-purine-2,6-dione, 8-[[1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl]thio]-7-[(2,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.000713512 u |
| Formula |
C28H21BrCl2N6O2S |
| InChI |
InChI=1S/C28H21BrCl2N6O2S/c1-34-24-23(25(38)35(2)28(34)39)37(15-17-10-11-19(30)13-20(17)31)27(33-24)40-26-32-21-8-3-4-9-22(21)36(26)14-16-6-5-7-18(29)12-16/h3-13H,14-15H2,1-2H3 |
| InChIKey |
VQHUAYXMZBWKOJ-UHFFFAOYSA-N |
| Molecular Weight |
656.386 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8583 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10210247; Lab Info: LP; Lab Number: LP-3701139 |
![1H-purine-2,6-dione, 8-[[1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl]thio]-7-[(2,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-](/api/spectrum/Aw3XVZaXCu5/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-[[1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl]thio]-7-[(2,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-")
