Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2cc(nn2c1ccccc1)C(C)(C)C)NCc5ccccc5Sc3cn4c(nnc4cc3)C(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C)cn12 |
SMILES | CACTVS | 3.370 | CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C)cn12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C30H33N7OS/c1-20(2)28-34-33-26-16-15-23(19-36(26)28)39-24-14-10-9-11-21(24)18-31-29(38)32-27-17-25(30(3,4)5)35-37(27)22-12-7-6-8-13-22/h6-17,19-20H,18H2,1-5H3,(H2,31,32,38) |
InChIKey | InChI | 1.03 | GQJUPNKTYNFBRZ-UHFFFAOYSA-N |