| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(C)CCOc3cnc(nc3c2c1cc(C#CC(O)(C)C)ccc1nc2)N |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24) |
| InChIKey | InChI | 1.03 | ZZIZLABGKZWVAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCOc1cnc(N)nc1c2c[nH]c3ccc(cc23)C#CC(C)(C)O |
| SMILES | CACTVS | 3.370 | COCCOc1cnc(N)nc1c2c[nH]c3ccc(cc23)C#CC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O |
