Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c(cn1)c2sc4c(c2)N=C(CN3CCCC3)NC4=O)C |
InChI | InChI | 1.03 | InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21) |
InChIKey | InChI | 1.03 | MUYIKPWUBQUQAV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)CN4CCCC4 |
SMILES | CACTVS | 3.385 | Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)CN4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4 |