| SpectraBase Spectrum ID |
5BNkqf1f1M |
| Name |
N-Benzhydryl-2-chloro-9-isopropyl-9H-purin-6-amine |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20ClN5 |
| InChI |
InChI=1S/C21H20ClN5/c1-14(2)27-13-23-18-19(25-21(22)26-20(18)27)24-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,24,25,26) |
| InChIKey |
YZSJVEFCXYMJDV-UHFFFAOYSA-N |
| Instrument Name |
Waters Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml3002083 |
| Molecular Weight |
377.879 g/mol |
| Reported Formula |
C21H20ClN5 |
| SMILES |
N(C(c1ccccc1)c1ccccc1)c1c2c(nc(n1)Cl)[n](cn2)C(C)C |
| SPLASH |
splash10-016r-0906000000-68b90057b709e2231342 |
| Source of Spectrum |
MCS-3-SM33-16t |
| Wiley ID |
1864055 |
