| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC |
| SMILES | CACTVS | 3.370 | CCCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H22N4O2/c1-4-6-15-14(17(19)22-18(20)21-15)8-5-7-12-11-13(23-2)9-10-16(12)24-3/h9-11H,4,6-7H2,1-3H3,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | VSWSZIRWLYCVMG-UHFFFAOYSA-N |
