Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25) |
InChIKey | InChI | 1.03 | QXPJTIYARGTANC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4 |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N |