| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4 |
| InChI | InChI | 1.03 | InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20) |
| InChIKey | InChI | 1.03 | DXCBGOVJQFRCDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N |
