| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c2cc(ccc2c(N)n1)c3nc(nc(NCC)c3)N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCNc1cc(nc(N)n1)c2ccc3c(N)[nH]nc3c2 |
| SMILES | CACTVS | 3.370 | CCNc1cc(nc(N)n1)c2ccc3c(N)[nH]nc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N |
| InChI | InChI | 1.03 | InChI=1S/C13H15N7/c1-2-16-11-6-9(17-13(15)18-11)7-3-4-8-10(5-7)19-20-12(8)14/h3-6H,2H2,1H3,(H3,14,19,20)(H3,15,16,17,18) |
| InChIKey | InChI | 1.03 | RIXHCYHQTKRWDU-UHFFFAOYSA-N |
