Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c(cn1)c2sc3c(c2)N=C(NC3=O)C5CC4CCN5CC4)C |
InChI | InChI | 1.03 | InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | XGVXKJKTISMIOW-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)[C@@H]4CC5CCN4CC5 |
SMILES | CACTVS | 3.385 | Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)[CH]4CC5CCN4CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)C4CC5CCN4CC5 |