Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H21N5O2/c1-12-10-18(16(22)11-19(12)26)25-24-14-8-6-13(7-9-14)20(27)23-17-5-3-2-4-15(17)21/h2-11,24-26H,21-22H2,1H3,(H,23,27) |
InChIKey | InChI | 1.06 | DDVSAMWBZOAVGX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O |
SMILES | CACTVS | 3.385 | Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N |