| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-]c3cccnc3c2nc1cc(ccc1n2)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3[O-] |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ncccc3[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18) |
| InChIKey | InChI | 1.03 | FQCDQFDJHSXQKY-UHFFFAOYSA-N |
