Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3/t14-/m0/s1 |
InChIKey | InChI | 1.06 | IIIBKWKCKFKYOT-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C |
SMILES | CACTVS | 3.385 | CN1CC[CH](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)[C@H]3CCN(C3)C)N(C)CCC#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)C3CCN(C3)C)N(C)CCC#N |