| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC(C)(C)C)NC4CCC(n3cnc2cnc1nccc1c23)C4 |
| InChI | InChI | 1.03 | InChI=1S/C18H23N5O2/c1-18(2,3)25-17(24)22-11-4-5-12(8-11)23-10-21-14-9-20-16-13(15(14)23)6-7-19-16/h6-7,9-12H,4-5,8H2,1-3H3,(H,19,20)(H,22,24)/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | GAVWHEZXKOVIQY-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3cnc4[nH]ccc4c23 |
| SMILES | CACTVS | 3.370 | CC(C)(C)OC(=O)N[CH]1CC[CH](C1)n2cnc3cnc4[nH]ccc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)OC(=O)NC1CCC(C1)n2cnc3c2c4cc[nH]c4nc3 |
