| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=2(N=C(N1CCOCC1)NC(C=2c3sc4c(n3)cccc4)=O)NC5CNCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-5-1-2-6-15(14)29-19)17(22-13-4-3-7-21-12-13)24-20(25-18)26-8-10-28-11-9-26/h1-2,5-6,13,21H,3-4,7-12H2,(H2,22,24,25,27)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | FWVSQXVRLKRCRX-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=NC(=C1c2sc3ccccc3n2)N[C@@H]4CCCNC4)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | O=C1NC(=NC(=C1c2sc3ccccc3n2)N[CH]4CCCNC4)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)NC5CCCNC5 |
