Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22) |
InChIKey | InChI | 1.03 | WJRRGYBTGDJBFX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)[S](C)(=O)=O)n2 |
SMILES | CACTVS | 3.385 | CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)[S](C)(=O)=O)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C |