| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c3c2nc(Oc1ccccc1)cnc2nc3)NC(C)C4CC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O2/c1-11(12-7-8-12)21-18(23)14-9-19-17-16(14)22-15(10-20-17)24-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,19,20)(H,21,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | TUNBOTWJAARGCJ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12)C4CC4 |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4 |
