Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1c(N(C)C)ccc(c1)Nc3nc(c2sc(nc2C)C)ccn3 |
InChI | InChI | 1.03 | InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21) |
InChIKey | InChI | 1.03 | MYHBMTAGTIOCHM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1[N+]([O-])=O |
SMILES | CACTVS | 3.370 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C |