| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(NS(CC)(=O)=O)cc(cc2c1ccn2C(c3ncccc3)(c4ccccn4)C)C5=CN(C(C(=C5)NC6CNC6)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C31H33N7O3S/c1-4-42(40,41)36-25-15-21(22-16-26(30(39)37(3)20-22)35-23-18-32-19-23)17-27-24(25)11-14-38(27)31(2,28-9-5-7-12-33-28)29-10-6-8-13-34-29/h5-17,20,23,32,35-36H,4,18-19H2,1-3H3 |
| InChIKey | InChI | 1.03 | LCXGTBTWPLARED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1cc(cc2n(ccc12)[C@](C)(c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC6CNC6 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1cc(cc2n(ccc12)[C](C)(c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC6CNC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C |
