Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C)C5CCN(c4nccnc4Oc1ccc(cc1)Nc2nc3ccccc3s2)CC5 |
InChI | InChI | 1.03 | InChI=1S/C24H25N5O2S/c1-16(30)17-10-14-29(15-11-17)22-23(26-13-12-25-22)31-19-8-6-18(7-9-19)27-24-28-20-4-2-3-5-21(20)32-24/h2-9,12-13,16-17,30H,10-11,14-15H2,1H3,(H,27,28)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | GNWKATFENPQMIQ-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)C1CCN(CC1)c2nccnc2Oc3ccc(Nc4sc5ccccc5n4)cc3 |
SMILES | CACTVS | 3.370 | C[CH](O)C1CCN(CC1)c2nccnc2Oc3ccc(Nc4sc5ccccc5n4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O |