| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=C(OC4C1(c3cccc(c2cncnc2)c3)CCOC4)N |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O2/c17-15-20-16(4-5-21-9-14(16)22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | QBOAOWFKBWILHE-GDBMZVCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@]2(CCOC[C@H]2O1)c3cccc(c3)c4cncnc4 |
| SMILES | CACTVS | 3.385 | NC1=N[C]2(CCOC[CH]2O1)c3cccc(c3)c4cncnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C23CCOCC2OC(=N3)N)c4cncnc4 |
