Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1 |
InChI | InChI | 1.06 | InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | GMHAIVQASIBHJM-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](COc2cnc(cc2c3ccn4nc(NC(=O)C5CC5)cc4c3)C#N)C1 |
SMILES | CACTVS | 3.385 | CN1CC[CH](COc2cnc(cc2c3ccn4nc(NC(=O)C5CC5)cc4c3)C#N)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC[C@H](C1)COc2cnc(cc2c3ccn4c(c3)cc(n4)NC(=O)C5CC5)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC(C1)COc2cnc(cc2c3ccn4c(c3)cc(n4)NC(=O)C5CC5)C#N |