| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](COc1cncc(c1)C2=NCC3=NN=CC3=C2)CC4=C5C=CCC=C5N=C4 |
| SMILES | CACTVS | 3.341 | N[CH](COc1cncc(c1)C2=NCC3=NN=CC3=C2)CC4=C5C=CCC=C5N=C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cncc1OCC(CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4 |
| InChI | InChI | 1.03 | InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | CCIACUJJBPSOHE-KRWDZBQOSA-N |
