| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1 |
| SMILES | CACTVS | 3.352 | NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2O)C(=N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22) |
| InChIKey | InChI | 1.03 | YUJGWDWOHQDFJV-UHFFFAOYSA-N |
