| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N |
| InChI | InChI | 1.03 | InChI=1S/C17H16N6/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22) |
| InChIKey | InChI | 1.03 | DNYUNVSBWOHMOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N |
