Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N4CCC(Nc3nc2c1n(nc(C(=O)NC)c1ccc2cn3)C)CC4)C |
SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)c1nn(C)c2c1ccc3cnc(NC4CCN(CC4)[S](C)(=O)=O)nc23 |
SMILES | CACTVS | 3.352 | CNC(=O)c1nn(C)c2c1ccc3cnc(NC4CCN(CC4)[S](C)(=O)=O)nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N7O3S/c1-19-17(26)15-13-5-4-11-10-20-18(22-14(11)16(13)24(2)23-15)21-12-6-8-25(9-7-12)29(3,27)28/h4-5,10,12H,6-9H2,1-3H3,(H,19,26)(H,20,21,22) |
InChIKey | InChI | 1.03 | MIDIIMBLQHSLFO-UHFFFAOYSA-N |