| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | CVDHTLSRRHNJAW-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccccc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F |
