| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c4ccc(C(=[NH2+])\N)cc4nc1C(O)(O)c3nc2ccc(cc2n3)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2nc([nH]c2c1)C(O)(O)c3[nH]c4cc(ccc4n3)C(N)=[NH2+] |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2nc([nH]c2c1)C(O)(O)c3[nH]c4cc(ccc4n3)C(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2 |
| InChIKey | InChI | 1.03 | ZLAHDRAQCSQPOC-UHFFFAOYSA-P |
