| Type | Program | Version | Descriptor |
| SMILES | RDKit (grade2) | 2022.03.2 | O=C(NCc1ccc(-c2ccccc2)cc1)c1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | RDKit (grade2) | 2022.03.2 | O=C(NCc1ccc(-c2ccccc2)cc1)c1ncnc2[nH]ccc12 |
| InChI | RDKit (grade2) | 2022.03.2 | InChI=1S/C20H16N4O/c25-20(18-17-10-11-21-19(17)24-13-23-18)22-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)(H,21,23,24) |
| InChIKey | RDKit (grade2) | 2022.03.2 | YFIZBHRPFIBYJW-UHFFFAOYSA-N |
| InChI | InChI | 1.06 | InChI=1S/C20H16N4O/c25-20(18-17-10-11-21-19(17)24-13-23-18)22-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)(H,21,23,24) |
| InChIKey | InChI | 1.06 | YFIZBHRPFIBYJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc(cc1)c2ccccc2)c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccc(cc1)c2ccccc2)c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CNC(=O)c3c4cc[nH]c4ncn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CNC(=O)c3c4cc[nH]c4ncn3 |
