| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)(C)C)c2cnc1ncc(nc12)c3ncn4c3CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H22N6O/c1-18(2,3)23-17(25)11-8-19-16-14(11)22-12(9-20-16)15-13-6-4-5-7-24(13)10-21-15/h8-10H,4-7H2,1-3H3,(H,19,20)(H,23,25) |
| InChIKey | InChI | 1.03 | NEVNJCLJFXHCCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)c3ncn4CCCCc34 |
| SMILES | CACTVS | 3.370 | CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)c3ncn4CCCCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4 |
