| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H21N5O2/c1-13(17-10-22(28)24-11-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21-26-25-14(2)27(21)12-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,24,28)/t13-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | SWYIYUTZOKDDCD-CXAGYDPISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1cc(cc2ncccc12)c3ccc4nnc(C)n4c3)[C@H]5CNC(=O)C5 |
| SMILES | CACTVS | 3.385 | C[CH](Oc1cc(cc2ncccc12)c3ccc4nnc(C)n4c3)[CH]5CNC(=O)C5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)OC(C)C5CC(=O)NC5 |
