| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n1c(nc3c(c1NC2CCNC2)cccc3)c4ccccc4O |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccccc1c2nc(N[C@H]3CCNC3)c4ccccc4n2 |
| SMILES | CACTVS | 3.352 | Oc1ccccc1c2nc(N[CH]3CCNC3)c4ccccc4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(nc(n2)c3ccccc3O)NC4CCNC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O/c23-16-8-4-2-6-14(16)18-21-15-7-3-1-5-13(15)17(22-18)20-12-9-10-19-11-12/h1-8,12,19,23H,9-11H2,(H,20,21,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | XVURFLCQTYKQLW-LBPRGKRZSA-N |
