Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N3c2nc(nc(c1cnc(nc1)N)c2CC3)N4CCOCC4)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[S](=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4 |
SMILES | CACTVS | 3.370 | C[S](=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) |
InChIKey | InChI | 1.03 | JEGHXKRHKHPBJD-UHFFFAOYSA-N |