| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)C(Oc3c2c(nc(nc2N)N)ccc3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Oc1cccc2nc(N)nc(N)c12)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.341 | C[CH](Oc1cccc2nc(N)nc(N)c12)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | IDHINEMSCUFEIP-VIFPVBQESA-N |
