| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-]c3ccccc3c2nc1cc(ccc1n2)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3[O-] |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | URJKRCBBKTXOHS-UHFFFAOYSA-N |
