Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)Cc1sc2ncnc(c2c1)N4CCN(C3=NCC(S3)(C)C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3 |
InChIKey | InChI | 1.03 | SFDROHXKTATJBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34 |
SMILES | CACTVS | 3.370 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CC(F)(F)F)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C |