Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C5c1c(ccc(OC)c1)CN5c2nc(cs2)C(=O)Nc4c(N3CCNCC3)ccnc4 |
InChI | InChI | 1.03 | InChI=1S/C22H22N6O3S/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29) |
InChIKey | InChI | 1.03 | KLJVDMAOKMSBQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2CN(C(=O)c2c1)c3scc(n3)C(=O)Nc4cnccc4N5CCNCC5 |
SMILES | CACTVS | 3.370 | COc1ccc2CN(C(=O)c2c1)c3scc(n3)C(=O)Nc4cnccc4N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5 |