Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24) |
InChIKey | InChI | 1.03 | IATSSYNKRCFJAY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]c(c(C)n1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2 |
SMILES | CACTVS | 3.385 | CSc1[nH]c(c(C)n1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4 |