| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)c1ccc(cc1)c4ccc(c3nc2cc(ccc2n3)C(=[N@H])N)cc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc2[nH]c(nc2c1)c3ccc(cc3)c4ccc(cc4)C(N)=O |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc2[nH]c(nc2c1)c3ccc(cc3)c4ccc(cc4)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2ccc(cc2)C(=O)N)c3[nH]c4ccc(cc4n3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H17N5O/c22-19(23)16-9-10-17-18(11-16)26-21(25-17)15-7-3-13(4-8-15)12-1-5-14(6-2-12)20(24)27/h1-11H,(H3,22,23)(H2,24,27)(H,25,26) |
| InChIKey | InChI | 1.03 | LDAVGTBIUFWUTM-UHFFFAOYSA-N |
