| SpectraBase Spectrum ID |
50aQvohyLY |
| Name |
2-amino-8-bromo-9-(phenylmethyl)-3H-purin-6-one |
| Alternate Name(s) |
2-amino-9-benzyl-8-bromo-3H-purin-6-one
2-azanyl-8-bromanyl-9-(phenylmethyl)-3H-purin-6-one |
| CAS Registry Number |
96412-45-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10BrN5O |
| InChI |
InChI=1S/C12H10BrN5O/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,14,16,17,19) |
| InChIKey |
SDCVRZUGUCPEJC-UHFFFAOYSA-N |
| Molecular Weight |
320.150 g/mol |
| SMILES |
N1C(c2c(N=C1N)[n](c(n2)Br)Cc1ccccc1)=O |
| SPLASH |
splash10-0006-9002000000-f400aca3ee923b5c09e7 |
| Source of Spectrum |
J-50-2473-15 |
| Wiley ID |
1319158 |
