| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1c(cc2OCOc2c1)Cc4nc5c(nccn5c4NCc3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C21H18BrN5O2/c22-15-10-18-17(28-12-29-18)9-14(15)8-16-20(25-11-13-4-2-1-3-5-13)27-7-6-24-19(23)21(27)26-16/h1-7,9-10,25H,8,11-12H2,(H2,23,24) |
| InChIKey | InChI | 1.03 | QOEANVPMVDTINQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccn2c(NCc3ccccc3)c(Cc4cc5OCOc5cc4Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1nccn2c(NCc3ccccc3)c(Cc4cc5OCOc5cc4Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5 |
