Base information
| Cat. No. | |
| CAS No. | 722456-31-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H12N6OS |
| Molecular Weight | 360.392 |
| Exact Mass | 360.079 |
| XLogP3 | 3.562 |
| Mr | 96.999 |
| PSA | 107.82 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 42 |
| Ring number | 5 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)Cn1nnc2c1ncnc2Sc1nc2c(o1)cccc2 |
