| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | AVKNBINNLVQZGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c(OCc3ccc(cc3)[S](O)(=O)=O)cccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c(OCc3ccc(cc3)[S](O)(=O)=O)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N |
