Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)Nc1sc(cn1)CN5CCC2(CN(CC2)c4cc(C)n3ccnc3n4)C5 |
InChI | InChI | 1.03 | InChI=1S/C20H25N7OS/c1-14-9-17(24-18-21-5-8-27(14)18)26-7-4-20(13-26)3-6-25(12-20)11-16-10-22-19(29-16)23-15(2)28/h5,8-10H,3-4,6-7,11-13H2,1-2H3,(H,22,23,28)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | RJDUUKXZMXIWIE-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1sc(CN2CC[C@]3(CCN(C3)c4cc(C)n5ccnc5n4)C2)cn1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1sc(CN2CC[C]3(CCN(C3)c4cc(C)n5ccnc5n4)C2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2n1ccn2)N3CCC4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C |