Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1n(cc(c1)c3c2cc(oc2c(nc3)N)c5cccc4c5scc4)C6CCNCC6 |
InChI | InChI | 1.03 | InChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26) |
InChIKey | InChI | 1.03 | HYMAZAOGZLVDSM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncc(c2cnn(c2)C3CCNCC3)c4cc(oc14)c5cccc6ccsc56 |
SMILES | CACTVS | 3.370 | Nc1ncc(c2cnn(c2)C3CCNCC3)c4cc(oc14)c5cccc6ccsc56 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6 |