| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1ccccc1c2nc(nc2)CCc4cnc3ccccc3n4 |
| InChI | InChI | 1.03 | InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23) |
| InChIKey | InChI | 1.03 | HMXBVTKCTWFFHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Cc1cnc2ccccc2n1)c3[nH]cc(n3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C(Cc1cnc2ccccc2n1)c3[nH]cc(n3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3 |
