| SpectraBase Spectrum ID |
BgJRCEh0yAB |
| Name |
1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
529.141134540 u |
| Formula |
C22H24ClN9O3S |
| InChI |
InChI=1S/C22H24ClN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-4-3-5-14(23)10-13)21(27-17)36-12-15-25-19(24)28-20(26-15)31-6-8-35-9-7-31/h3-5,10H,6-9,11-12H2,1-2H3,(H2,24,25,26,28) |
| InChIKey |
NDEWIELILCNDPE-UHFFFAOYSA-N |
| Molecular Weight |
530.007 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14776 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10310694; Lab Info: SAD; Lab Number: 28 |
![1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-](/api/spectrum/BgJRCEh0yAB/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-[[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]thio]-7-[(3-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-")
