Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc(c1)Nc3nc(c2sc(nc2C)N)ccn3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)[N+]([O-])=O)n2 |
SMILES | CACTVS | 3.341 | Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)[N+]([O-])=O)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) |
InChIKey | InChI | 1.03 | DYTKVFHLKPDNRW-UHFFFAOYSA-N |