Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FCCOc1c(OC)ccc(c1)c2nc(cs2)CSc3nc(N)cc(n3)N |
InChI | InChI | 1.03 | InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23) |
InChIKey | InChI | 1.03 | ZWMGIFUNVAXYGP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1OCCF)c2scc(CSc3nc(N)cc(N)n3)n2 |
SMILES | CACTVS | 3.370 | COc1ccc(cc1OCCF)c2scc(CSc3nc(N)cc(N)n3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N |