| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCCCn1cnc2C(=O)NC(=Nc12)Nc3ccccc3 |
| SMILES | CACTVS | 3.341 | OCCCCn1cnc2C(=O)NC(=Nc12)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22) |
| InChIKey | InChI | 1.03 | JHBXNPBKSPYOFT-UHFFFAOYSA-N |
