Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H29N5OS/c30-22(27-14-8-20(9-15-27)18-19-6-2-1-3-7-19)21-10-16-29(17-11-21)24-26-25-23(31-24)28-12-4-5-13-28/h1-7,12-13,20-21H,8-11,14-18H2 |
InChIKey | InChI | 1.03 | QREVWNVSFCZWGU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(C1CCN(CC1)c2sc(nn2)n3cccc3)N4CCC(CC4)Cc5ccccc5 |
SMILES | CACTVS | 3.385 | O=C(C1CCN(CC1)c2sc(nn2)n3cccc3)N4CCC(CC4)Cc5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5 |