| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26) |
| InChIKey | InChI | 1.03 | BIKUTIAECDVFLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3 |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cncn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3 |
