| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3cccc(/N=C2\N=C(Nc1c2ncn1C(C)C)NCCO)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO |
| SMILES | CACTVS | 3.341 | CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)n1cnc2c1NC(=NC2=Nc3cccc(c3)Cl)NCCO |
| InChI | InChI | 1.03 | InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) |
| InChIKey | InChI | 1.03 | XZEFMZCNXDQXOZ-UHFFFAOYSA-N |
