| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(c4ccc3n(C1CCCC(C1)NC(=O)c2ccc(s2)Br)c(nc3c4)c5ccccn5)=O |
| InChI | InChI | 1.03 | InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | PGSKODUPOMCUEJ-DLBZAZTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c4sc(Br)cc4)c(nc2c1)c5ccccn5 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccc2n([CH]3CCC[CH](C3)NC(=O)c4sc(Br)cc4)c(nc2c1)c5ccccn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNC(=O)c1ccc2c(c1)nc(n2C3CCCC(C3)NC(=O)c4ccc(s4)Br)c5ccccn5 |
