| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12 |
| InChI | InChI | 1.03 | InChI=1S/C18H17FN4O2/c19-18(16(24)25)9-23(8-17(18)6-3-7-17)15-13-11-4-1-2-5-12(11)22-14(13)20-10-21-15/h1-2,4-5,10H,3,6-9H2,(H,24,25)(H,20,21,22)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | DRYOZRKBYUHNNN-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@]1(F)CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c34 |
| SMILES | CACTVS | 3.385 | OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@](C5(C4)CCC5)(C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)ncnc3N4CC5(CCC5)C(C4)(C(=O)O)F |
