| SpectraBase Compound ID | LkPFm6Nwjgw |
|---|---|
| InChI | InChI=1S/C12H12N6O2S/c13-21(19,20)9-3-1-8(2-4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H2,13,19,20)(H2,14,15,16,17,18) |
| InChIKey | MGZJAXYRCXYPPD-UHFFFAOYSA-N |
| Mol Weight | 304.33 g/mol |
| Molecular Formula | C12H12N6O2S |
| Exact Mass | 304.074245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DciYm52FQq |
|---|---|
| Name | p-Toluenesulfonamide, alpha-(purin-6-ylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.074244822 u |
| Formula | C12H12N6O2S |
| InChI | InChI=1S/C12H12N6O2S/c13-21(19,20)9-3-1-8(2-4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H2,13,19,20)(H2,14,15,16,17,18) |
| InChIKey | MGZJAXYRCXYPPD-UHFFFAOYSA-N |
| Molecular Weight | 304.328 g/mol |
| SMILES | C1(S(=O)(=O)N)=CC=C(C=C1)CNC1=C2C(NC=N2)=NC=N1 |