| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c3c(nc1)n(nc3C#Cc2cccc(O)c2)C(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)n1nc(C#Cc2cccc(O)c2)c3c(N)ncnc13 |
| SMILES | CACTVS | 3.352 | CC(C)n1nc(C#Cc2cccc(O)c2)c3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | HFGDXJQGICLTIE-UHFFFAOYSA-N |
