Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | WEGLOYDTDILXDA-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccccc1c2csc(c2)[C@@H](C)Nc3nc(C)nc4cc(OC)c(OC)cc34 |
SMILES | CACTVS | 3.385 | CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cs3)c4ccccc4CNC)OC)OC |