| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4ncccc34 |
| SMILES | CACTVS | 3.341 | CN1[CH]2CC[CH]1CC(C2)OC(=O)c3c[nH]c4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccn4 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+ |
| InChIKey | InChI | 1.03 | WQGFCATXRXQKNB-GDNZZTSVSA-N |
