| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | CLEFVPILGAPOTG-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1cc2cc(F)ccc2nc1N)C3=C(C=CC(=O)N3)n4cccn4 |
| SMILES | CACTVS | 3.385 | C[CH](Oc1cc2cc(F)ccc2nc1N)C3=C(C=CC(=O)N3)n4cccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F |
