| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N/C(N)=N)c1c(N)nc(N)c(n1)c2cn(nc2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13N9O/c1-19-3-4(2-15-19)5-7(11)17-8(12)6(16-5)9(20)18-10(13)14/h2-3H,1H3,(H4,11,12,17)(H4,13,14,18,20) |
| InChIKey | InChI | 1.03 | MHKIPNGQRFWGIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2c(nc(c(n2)C(=O)NC(=N)N)N)N |
