Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(C)C(C)(C)CCn5nc(Nc1c(cccc1C)C)c2c5nc(nc2)Nc3ccc(cc3)N4CCNCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c3cnc(Nc4ccc(cc4)N5CCNCC5)nc13 |
SMILES | CACTVS | 3.341 | COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c3cnc(Nc4ccc(cc4)N5CCNCC5)nc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C |
InChI | InChI | 1.03 | InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34) |
InChIKey | InChI | 1.03 | RDCUCMDUDZPOOV-UHFFFAOYSA-N |