| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14 |
| SMILES | CACTVS | 3.341 | Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25) |
| InChIKey | InChI | 1.03 | KMSATRJZEXNGDP-UHFFFAOYSA-N |
