Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4cccc5cc(c1nncc1NC(=O)c2c3ncccn3nc2)c(cc45)OC |
InChI | InChI | 1.03 | InChI=1S/C21H16N6O2/c1-29-18-10-14-6-3-2-5-13(14)9-15(18)19-17(12-23-26-19)25-21(28)16-11-24-27-8-4-7-22-20(16)27/h2-12H,1H3,(H,23,26)(H,25,28) |
InChIKey | InChI | 1.03 | LGRPDWKAHUIEOE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES | CACTVS | 3.385 | COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5 |