| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23) |
| InChIKey | InChI | 1.03 | FJBBCXRRTSLXGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=C(Cc2c(C1)ncnc2N3CCC(CC3)CN[S](N)(=O)=O)OC |
| SMILES | CACTVS | 3.385 | COC1=C(Cc2c(C1)ncnc2N3CCC(CC3)CN[S](N)(=O)=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC |
