Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)Cc3sc2c(nc(nc2c3C)c4cnc(nc4)N)N5CCOCC5)C(O)C |
InChI | InChI | 1.03 | InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | YOVVNQKCSKSHKT-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)C(=O)N1CCN(CC1)Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5 |
SMILES | CACTVS | 3.370 | C[CH](O)C(=O)N1CCN(CC1)Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)C(C)O |