Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27) |
InChIKey | InChI | 1.06 | PXRSIUNAVCSATM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5 |
SMILES | CACTVS | 3.385 | CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn[nH]5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn[nH]5 |