| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | YBXRSCXGRPSTMW-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5cc[nH]n5)c4n2 |
| SMILES | CACTVS | 3.385 | C[CH]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5cc[nH]n5)c4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc(c3ccnc(c3n2)c4cc[nH]n4)c5ccnn5C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(c3ccnc(c3n2)c4cc[nH]n4)c5ccnn5C |
