Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25) |
InChIKey | InChI | 1.03 | XQMMPFLQOCIGRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4 |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N |