| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC3)NC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc3n1ncc3C#N |
| SMILES | CACTVS | 3.341 | CC(C)Nc1cc(N[CH]2CC[CH](N)CC2)nc3n1ncc3C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N |
| InChI | InChI | 1.03 | InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13- |
| InChIKey | InChI | 1.03 | FOESVLPZMGVWBM-JOCQHMNTSA-N |
