| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br |
| InChI | InChI | 1.03 | InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | VQNVMWNZONLRRO-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(Br)c(Br)c(Br)c(Br)c23 |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](C[CH]1O)n2cnc3c(Br)c(Br)c(Br)c(Br)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1C3CC(C(O3)CO)O)c(c(c(c2Br)Br)Br)Br |
